clustering.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "import matplotlib.pyplot as plt\n",
    "%matplotlib inline \n",
    "plt.rcParams['figure.figsize'] = (10, 6)\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "from sklearn.cluster import KMeans\n",
    "from sklearn.preprocessing import Imputer\n",
    "from sklearn.decomposition import PCA\n",
    "import scoring"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Clustering"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Gene expression"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "gex = pd.DataFrame.from_csv('Sanger_molecular_data/gex.csv', header=0).transpose()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{3: 236687.27413870723,\n",
       " 4: 170305.7667668685,\n",
       " 5: 132354.93261744137,\n",
       " 6: 107879.48126981061,\n",
       " 7: 90030.52823141923,\n",
       " 8: 76580.068945398467,\n",
       " 9: 66501.83325334343,\n",
       " 10: 59137.885118284663,\n",
       " 11: 51781.353712788448,\n",
       " 12: 47305.438996587749,\n",
       " 13: 42208.00963248343,\n",
       " 14: 37815.081525572998,\n",
       " 15: 34431.647113802726,\n",
       " 16: 31652.767370951886,\n",
       " 17: 29402.888348831842,\n",
       " 18: 27103.190920499441,\n",
       " 19: 24762.734895156951}"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gex_costs = {}\n",
    "for i in range(3, 20):\n",
    "    kmeans = KMeans(n_clusters = i)\n",
    "    kmeans.fit(gex.values)\n",
    "    gex_costs[i] = (1/i) * kmeans.inertia_\n",
    "gex_costs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
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XjAWq9gPNmjXrpeO2tjba2tqqnabc0UfDxIlFVyFJUuNbuHAhCxcufNXX92sLqYjYC7i2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\nQU2SJKmkDGqSJEkl9f8BlZPbCTcdwUkAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1096affd0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.plot([cluster for (cluster, cost) in gex_costs.items()],\n",
    "         [cost for (cluster, cost) in gex_costs.items()], 'bo--')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "KMeans(copy_x=True, init='k-means++', max_iter=300, n_clusters=8, n_init=600,\n",
       "    n_jobs=1, precompute_distances='auto', random_state=None, tol=0.0001,\n",
       "    verbose=0)"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gex_kmeans = KMeans(n_clusters = 8, n_init=600)\n",
    "gex_kmeans.fit(gex.values)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([7, 1, 3, 1, 1, 2, 3, 4, 3, 2, 3, 1, 3, 2, 0, 5, 6, 2, 1, 7, 3, 2, 2,\n",
       "       2, 4, 1, 1, 1, 3, 1, 6, 3, 1, 1, 0, 3, 0, 7, 3, 0, 4, 7, 4, 3, 2, 2,\n",
       "       3, 2, 1, 2, 5, 3, 5, 3, 3, 1, 7, 3, 3, 3, 5, 1, 1, 7, 5, 1, 3, 0, 6,\n",
       "       1, 6, 6, 1, 6, 3, 0, 3, 2, 3, 2, 3, 7, 3], dtype=int32)"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gex_kmeans.labels_"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Visualize GEX cluster"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def plot_cluster(kmeans, reduced_data):\n",
    "    color_list = ['b', 'r', 'c', 'm', 'y', 'k', '#8400FF', '#00FF15'] \n",
    "    labels = kmeans.labels_\n",
    "    colors = [color_list[i] for i in labels]\n",
    "\n",
    "    # plot colored points\n",
    "    plt.scatter(reduced_data[:,0], reduced_data[:,1], c=colors, s=50)\n",
    "\n",
    "    # mark centroids as (X)\n",
    "    centroids = kmeans.cluster_centers_\n",
    "    plt.scatter(centroids[:,0],centroids[:,1], marker='x', s = 100, linewidths=2, c='none')\n",
    "\n",
    "    plt.show();"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "KMeans(copy_x=True, init='k-means++', max_iter=300, n_clusters=8, n_init=50,\n",
       "    n_jobs=1, precompute_distances='auto', random_state=None, tol=0.0001,\n",
       "    verbose=0)"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "reduced_data = PCA(n_components=2).fit_transform(gex.values)\n",
    "kmeans_red = KMeans(n_clusters=8, n_init=50)\n",
    "kmeans_red.fit(reduced_data)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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lGb47nCf7PsnQvEN5xfMVdtTYwayfZkmBJYSLZMg5cqWUD7AU6KtpWuy9869o\nmqYppeSUlcgy7HY7XqncFQfgDdgTE10byEVatGjBkSNHsFqtKfoSExOpWbPmI+03T548tGzZ8r+f\nKDJElSpVWLRyEW92epPJNyfj4+bDxaSL9Hu3Hx9+9GGy5/r6+vL5qM+zzWzvQuQ06S6ylFIe3C6w\n5miatvxOc5RSKkTTtMtKqQLAldS2vXfcRlhYWI5Y2kJkfY0bN+ZjTSMe7tzYfpsGLPDxoffzz+uU\n7LaDBw/yzTffcOjQIUqWLEm/fv0yZPxMr169mDBhAomJicnGnZlMJrp3706ePHn+ZWuRlTRq1IiT\nF05y4MABLBYLVatWxWw2//eGQogHFh4eTnh4eLr2ka4xWer2KatZwDVN0965p330nbZRSqmBQICm\naQPv21bGZAnddHnlFS6sWMFEi4XS3P4UMMxoZG/Jkuw6eFC3O6/mzp3Lm2++SWJiIg6HA6UU3t7e\nDBkyhA8//PC/d/AfTpw4QadOnfjjjz/w8PBA0zT69evHJ598kuWXWxFCCD25fMZ3pVRdYCtwEO7e\nwvIhsBdYBBQFzgEva5oWc9+2UmQJ3SQlJTH8o4+YPHEihqQkLE4nL7Vpw5cTJhAYqM/ElDdu3KBQ\noULJ7v77h7e3NwcOHKB06dIZcqy///6bGzduULJkybtjeIQQQqRNltUR4iHZ7Xaio6MJCAhIdToC\nV5oxYwZ9+/YlPj4+Rd8/UyaMGDFCh2RCCCEepcjKPpPDCJEJPDw8KFiwoN4xALh27RqJaQy6t9vt\nREVFpdqnl5MnT3LhwgXKlClD4cKF9Y4jhBBZjgzCECKLCA0NTfPSnY+PD/Xq1XNxotSdO3eOJ598\nkqpVq9K6dWtKly5Ns2bNuHHjht7RhBAiS5HLhUJkEZqmUalSJU6cOEFSUtLddqUU+fLl49y5c3h7\ne+uY8Pbiz6VKlSIqKirZ4tBGo5GqVauyZ88e7p3CRQghcgpdJyMVQqSPUorNmzcTGhqKt7c3fn5+\nmM1mypUrx44dO3QvsOD2eo+xsbHJCiy4vS7i0aNH2b17t07J9HPq1ClmzpzJ4sWLiY2N1TuOECIL\nkTFZQmQhwcHB7Ny5k+PHj3PixAmKFClCtWrVsszZoS1bthAXF5dqn91uZ9euXdSuXdvFqfSRmJjI\nG6+8wbo166hhqEGsWyzdkrrxzYRveKPzG3rHE/8iMjKSixcvUqJECfLnz693HJGDSZElRBZUrlw5\nypUr998i1nAeAAAgAElEQVRPdLGgoCAMBgMOhyNFn4eHB/7+/jqk0kf/t/sTuTaS+db5eOIJwHnO\n80GfD3is9GNZZgyd+J+///6b9u27sWfPbjw9S2C1nqJFi5b88MNE/Pz89I4nciAZkyWEeGCHDh2i\nZs2aqc7l5eXlxaVLl3SbZ8yVbt26RZHgIvxg/YE8JJ8pfyUrOfPsGZb/sjyNrYUebDYbZctWJzKy\nDUlJH3J7Ea2beHq+x+OPn2fHjvUPdcbYYrGwceNGrFYrdevWzTJ3KYvMI2OyhBCZqnLlyvTu3TvZ\nEi5KKUwmExN0nMjV1U6fPk2IMSRFgQVQjWocOnhIh1Ti3/z0009cvZqfpKRPuV1gAfiTmPgdBw+e\nYc+ePQ+8r5kzZ5M/f1E6dhxL164LKFmyIl269E52w4oQIEWWEOIhjR49mqVLl9KkSRPKli1LmzZt\n2LJlC126dNE7mssEBwdzxXYFG7YUfRe5SHD+YB1SiX+zceN24uJapdJjwGb7P7Zv3/5A+wkPD6dX\nr0HEx//KrVubiI1dRmLiWRYsOMagQZ9kbGiR7UmRJYR4aE2aNGHdunUcP36cxYsXU6NGDb0juVTB\nggUJfTKUJYYlydoTSWS+eT7d3+muUzLXiI6O5vz58ynuMs3KAgJ8MBiuptrn4XEVHx+fB9rPp5+O\nwWL5FKh4796xWGYwceKkVC+li9xLxmQJIcQjOH/+PGG1wigWW4za8bWJJZa15rXUaFKDeYvn5cgF\ntw8dOsTbXd/m9wO/423wxsvHi48++4iu3brqHe0/HThwgNq1m5OQcBi497L2eTw9q/LXXyce6E7D\nPHmKcOPGNqB4ij5f3zLs3bsyS960ItJPxmQJIYSLFCtWjEMnD/Hy6Jc51eIU8e3jmfLTFH5c8mOO\nLLDOnj3L0089TfW91VmSuISFloUMvDKQ4f2GM3nSZL3j/aeqVavStesrmM11gR+Bg8BUTKb6jBw5\n/IGncggKyg+cTaXHgs0WTVBQUMaFFtmenMkSQgjxn3q/2ZuY72PompT8rNUpTjEkYAgXrlzAw8ND\np3QPRtM0VqxYwVdfTeXChQuUK1eGgQN707Bhwwfex7hx4/nwwxVYLGuB/71eg+Fz6tXbxZYtqzIh\nucgKHuVMlhRZQogcz2q1snDhQtb9tA4PTw9e7PAiLVq0wGAw6B0t2yhbuCwDLg7gMR5L0dfZtzM/\nbfuJqlWr6pDMtex2O82atWH37kvEx/cA/DCZluDr+xt794ZTtGhRvSOKTPIoRZZMRiqEyNGuXr1K\nWK0wzFFmGsQ1wIaND9Z8wMQnJrLyl5V4enrqHTFbMBqNWLGmaNfQsDqtueZ99PDw4JdffmLVqlV8\n//0i4uISeO65hrz++rRcNRmveDByJksIkaN1bNsR609Wetp7orj9IdSBg4+8P6LVkFYMHDRQ54TZ\nw/BPhrNj5A4GJiZ/v3axi9nFZnP07NEss/yTEJlBLhcKIcQ9LBYLwXmCmZs4F3+Sn2U4ylHGFBzD\nqYundEqXvcTExFD78dqUuliKF2wv4Icf29V25nrPZeGKhTRu3FjviEJkKrm7UAgh7hETE4OXm1eK\nAgugCEWIvh6tQ6rsKSAggB2/7aBin4p8mv9Tevr25ELTC/zy6y9SYGWADRs2ULNmY4xGM4GBhXjn\nnQ+IiYnRO5ZIJzmTJYTIsex2O4XyFuLLW19SjGLJ+raxjTVV1rDrwC6d0glx27x58+nWrT8JCV8C\nLYG/MRpHUbTofiIitj/wRKkic8mZLCGEuIeHhwe9+/VmnGkc8cTfbb/CFaabpjNg6AAd02WcpKQk\nRn8xmuIhxTG4GShVsBTffvNttpqRPbey2+307v0eCQkrgFcAP6AsNtsMLl4swYwZ3+ucUKSHnMkS\nQuRoDoeD3t17s+DHBYQaQrEpGxFJEQwZOoQBA3NGkdW+TXtOrTtFF0sXSlOa4xxnmmkaT7R+ghlz\nZugdT/yLHTt20Lx5H27d2p9K7xqqV/+S/fu3uDyXSEkGvgshRBouXLjApk2bMBqNNG3alDx58ugd\nKUPs27ePFxq+wIz4GXjyv2kUEkigk3cnwn8Lp0KFCjomFP/m119/pVWrgdy6ldpl601UqjSUQ4ce\nbPFqkblkniwhhEhDkSJFeP311/WOkeGWL1tOw4SGyQosAG+8CbOHsWLFCimysrDQ0FAcjpPAKbhv\nolcvrx958cWmuuQSGUPGZAkhRDbmdDpx01L/Ve6mueFwOFycSDwMk8nE0KGDMZlaATsBDbiJwTAc\nX9+N9OrVQ+eEIj2kyBJCiGysecvm/Gr6lSSSkrXbsLHVcyvNmzfXKZl4UAMGvMO3375HgQKd8PQM\nwmgsRJMmh9i3byt58+bVO55IBxmTJYQQ2ZimabR8piVxO+PontCdQhTiL/5iivcUCjUuxOKVi/WO\nKB6Q0+nk2rVrmM1mTCaT3nHEfWTguxBC5EKJiYkMHTyUiRMnQiIYlIGKj1dk5o8zKV26tN7xBLcL\nqB07dnD16lWqVatGiRIliIiI4JdffsHd3Z3nnntO/l9lcVJkCSFELuR0OmnXuh2HNh6idXxrgghi\nr8deNnpuZOUvK6lTp47eEXO1Xbt20aZNR+LizChVHJttJ76+/sTFWbHbX8LNzYab22I6dXqFyZO/\nkTUgsygpsoQQIhdatGgRwzoP49v4bzFivNu+jW3MLjybE3+dkD/cOrl48SLlylUnLm4a0ApQQALQ\n9c5/l9155k1MpsZ88013unfvplNa8W9kxnchRJZ26dIl+vZ+l6Ihj1EoXwm6d+7J2bNn9Y6V7c2c\nPJMX4l9IVmAB1KUuSTFJ/PbbbzolExMnTsVufxl4jtsFFoA3MAPYzu2pGwD8sVhG8cUXE3RIKTKL\nFFlCCJe4cOECT1atzf6pGs9HLeelq2s5NTsPNarX4fjx43rHy9ZuXL1BPvKlaFco8hnycePGDR1S\nCYBt234nMfHZVHq8gHpAxD1tNYiMPOmaYMIlpMgSQrjExx9+Stkbr9LU/g3BVCIf5Wjk+IzQWwPo\n//YgveNla7XCarHXY2+K9lhiOW49TrVq1XRIJQCCg4OAv9LoPQ8E3fP4AMHBxdJ4rsiOpMgSQrjE\n4qWLqOHolaL9Sa07G7asxWq16pAqZ+jzTh/WG9ezk51o3B7rGkcco71H07ZtW/Lnz69zwtzrrbde\nw2weB9y6r+cXIBpocOdxAibTYN55502X5hOZSwa+CyFcwujuyUDHNTzxSdbuxMEId1+ir0fh6+ur\nU7rsb/v27XRq2wkVq8jrlpdj1mO89PJLTJw2EU9Pz//egcgUmqbRo0c/5s1bR3x8P6A4RuMGkpKm\n4emZj4SELiiViMk0l6ZNn2LhwpkYDAa9Y4tUyN2FQogsq1HdZgTsaMvjvJ6s/TirOFj2Uw4c36dP\nsBzE6XSyd+9eYmJiqF69OsHBwXpHEtwutDZs2MCkSbO4fPkqTz1Vnd693+TMmTOsWrUODw93Xn65\nNaGhoXpHFf9CiiwhRJa1Y8cOWj7bmpaWGZShOQrFWcJZ7v0qsxdPpUWLFnpHFEKINMkUDkKIDLNm\nzRoa1H6WfAEFqVI2lMmTp6RrseGnnnqKRcvn8lvJwXzjXYhvTUXYUugtps4ZLwWWECJHkjNZQogU\nxnw9ltEfj6OBZQTFqMtV/mS76ROqPlOYRT/NS9fElpqmcf78eRwOByVLlpRJMkWOs27dOgYP/oID\nB3ZhMvnz6qsdGD58CEFBQf+9sciy5HKhECLdrl27RvHCpehhPUgARe+227EyzVyduasm0bBhQx0T\nCpF1zZ37I927v09CwhigJXAZo3E0hQpt548/duLn56d3RPGIstTlQqVUU6XUcaXUSaXUB5l1HCFE\nxlq9ejWl3Z9JVmABeOBFFUsXfpy9SKdkIqtwOp38/vvvbN26ldjYWL3jZBl2u50+ffqTkLACeBkw\nASWx2aZw+XIFpk6drnNC4WqZUmQppQzABKApUAFor5QqnxnHEkJkLKvVitGZ+lQKnpofCfEyn1Vu\ntmnTJooUKUdYWAdatRpIcHAxBg4citPp1Dua7vbt24fTGQI8kaIvIaErc+Ysd30ooavMOpNVAzil\nado5TdPswAJuL9wkhMjiGjZsyJ/az9hJSNauoXHCZzFNWzXSKZnQ26FDh2jVqj2XLo0jLu4YN2/u\nJCHhIOPHr2fo0BF6x9Pd7RtD3NPodU/XjSMie8qsIqsQcOGex5F32oQQWVyZMmVo2rwJS7xfIubO\nP2MrN9no8QGOfH/z0ksv6ZxQ6OWzz8Zgtb7L7YsU/wxNKYzFMo9vvhlLQkLCv2yd84WGhuJ0ngNS\nrsXp5TWXl15q5vJMQl9pldzp9UAj2ocNG3b3+7CwMMLCwjIpjhDiYcz6cToD+w9h6oyqmNzyEGu/\nSpNnmrJoxmaZPTwX2759N07ne6n0lMTNrQB//vlnrl4n0cvLi88+G8qgQa2wWKZye8mcGAyGb/Hz\n20KvXqP1jigeQnh4OOHh4enaR6bcXaiUqgUM0zSt6Z3HHwJOTdNG3fMcubtQiCzOYrFw8eJF8ubN\nS2BgoN5xhM7Kl6/J8eOfA/dfMk7C27swhw/vpGTJknpEy1JmzZrDkCGfExUVCThp3vw5xo8fRZEi\nRfSOJtIhy0zhoJRyB/7k9r/ES8BeoL2macfueY4UWUIIkY18++1YBg/+BYtlNclHm8yiQoXJHDmy\nW69oWY6mady6dQsvLy85+5tDZJkpHDRNSwJ6c3uZ8aPAwnsLLCEe1pEjR+jQuTNFypWjQmgo48aN\nw2qVu9yEcKUePd6kYsUETKamwCpgJx4eA/D1fZ+5cyfrHS9LUUrh7+8vBVYuJ5ORiixvy5YttHzx\nRaytW+OsVQtu3MB7yRIqe3qydf16+SUmhAslJiYyc+Yspk1bQGxsHE2bNuDdd3tTrFgxvaMJkamy\nzOXCBzqwFFniATidToqWKcPFrl2hVq17OzB9+CFfv/EGPXr00C+gEEKIXCHLXC4UIqP88ccf3ExK\ngpo1k3e4uWF5/nmmzZunTzAhhBDiP2TWFA4il4mJiWHv3r14eXlRu3ZtPDw8MmS/8fHxGPz9IbVF\nhP38iI2Ly5DjCCGEEBlNiiyRLk6nkw8//phx48fjWaYMmsWC4fp1pk2YQJs2bdK9/2rVqmE7fx6i\noyFfvmR9Hjt20ETmVhNCZDBN09i6dSuzZy/i5s14WrRoQLt27fD29tY7mshmZEyWSJfPRo5k5Lx5\nWIYNg7x5bzcePYr30KFsXLGCOnXqpPsYHwwZwoSVK7EMGgQhIeBwwKZN+E6bxsF9+yhevHi6jyGE\nEHD7g2OHDl1ZtWo7FktXNC0PPj7LCAg4ze7dmylUSBYvya1k4LtwKZvNRt5ChYj9+msoWjR558qV\nPHP6NOtXrEj3cZxOJx9/+infjB2Le/782G/coHiRIsyZOpUnnki5EKsQQjyqWbNm0avXROLjwwHT\n3XaDYRj16+9n8+aVumUT+pIiS7jUyZMnefzpp4mbMydlZ1QUAf36cePvvzPseBaLhePHj+Pn58dj\njz2WYfsVQoh/VKtWnwMHBgD/d1+PBU/Pwpw7d5SQkBA9ogmdPUqRJWOyxCPz9/fHfusWJCbC/XNV\nRUfjn8HLsJhMJh5//PEM3acQQtzr8uVLQNlUekx4ehYmKipKiizxwGQKB/HI8ufPz5M1auC2alXy\nDqcT70WL6P7aa/oEE0K4zN9//80XX4ymR4++TJ48hVu3bukdKV0qVaoEbEulJwqb7YKMARUPRS4X\ninQ5efIktRo0IP7JJ0msXx/i4zH//DPljEa2bdggd+MIkYPNn7+QLl3ewul8kcTECpjNOzAYtrFx\n4ypCQ0P1jvdItmzZQsuWnbBYNgP/DEtIxNu7A6+8UoDp08frGU/oSMZkCV1cuXKFiVOmsHL9ekze\n3nRp354OHTrIcjdC5GB//fUX5cpVJyEhHKh8T89ygoL68PffZzJsvjxXmzTpO957byDu7mE4HIHA\nGho1asDixbPw8vLSO57QiRRZQgghXOKjjz5h9Ohr2GzjUvT5+tZnzpz3eO6553RIljFiYmJYvXo1\n8fHx1K9fn/Lly+sdSehMBr4LIYRwiZMn/8Jmq5Vqn81WhfPnz7s4UcYKCAjg1Vdf1TuGyOZk4LsQ\nQoiHVrlyaby89qbaZzTuoUyZMsDtMU7PPtuaQoXKU7PmMyxcuBC5iiFyC7lcKIQQ4qFFRUVRsmRF\nLJafgHp325WaQcGCozh//hiTJn3HwIFfYLF8BNQBjmI2f0b79vWZNk0GkIvsRcZkCSGEizmdTjZt\n2kRERAR58+alTZs2+Pv76x3LJTZs2MALL7RHqTokJFTAZNqO2fw3W7b8TN68eSlS5DGs1gigxD1b\n3cJkqsyWLYupUaOGXtGFeGhSZAkhhAtdvHiRZxu2IP5vRVFrI2I9z3FG28z0mVN56aUX9Y7nEnFx\ncSxdupRLly5Rvnx5WrRogYeHBzNmzKBv3/XExy9MsY2b26f07HmT8eO/1iGxEI9GBr4LIYQLvdCi\nLYXOtqF+0hAUCpLgb/6gW6dnqFKlMmXLpjZzeM7i4+NDp06dUrTHx8eTlBSU6jZOZxAxMRfTfWyr\n1cpXX33D5MmziImJplKl6nzySX+aNm2a7n0LkRFk4LsQQjyCiIgIzp2MpF7SoNsF1h0FqMbj9m5M\nHPedjun0V69ePQyG1UBSij4fn+U0aVIv5UYPwW638/TT/8fnn+/i0qXZWCzH2bu3K23avMmUKdPS\ntW8hMooUWUII8QhOnDhBEUMobhhS9BVMqsWxgyf+dXu73c6SJUt4r98APhs+gjNnzmRWVF1Ur16d\nmjWr4un5BnD9TqsFg2EoefJE8tJLL6Vr/0uXLuXgQQsJCT8BNYB8QDsslvW8995A4uPj0/cChMgA\nUmQJITKFw+Hg6tWrJCYm6h0lUxQtWpTL2mE0Uo4tjXY7TInSRdPcNjIykgqlqzLojbEcGhvEuuFR\nVK9Ygy9GjM7MyC63atUCXnjBiJdXKfz8HsfLqwh16/7Orl2b0r0ixKxZy4iP7w4pityyuLtXZ9Om\nTenavxAZQYosIUSGcjqdfDnqawrlL06JwmUICsjPGx27c/369f/eOBupVasWvvnc2a++T9Z+g/Ps\n8xxPj95d09y2fZtOFI9sT6e4bTRgIM3s4+hhPciYzycRHh6eycldx2w2M3/+DCIjT7F58zROnz5E\nePhqChYsmO59JybaAFNaR8Zms6X7GEKkl9xdKITIUH17v8fPP+yiqWUyBahKHFH86vEpsSV2se/A\nzhy19tuxY8doVL8JeROqUiS+Mbc8znLQMJfhI4fxdr/eqW5z8uRJalatT9+E87hjTNa3R03Eo+V2\nlq6c74r42dr48RMYOHALFsvS+3qu4uVVmvPn/yR//vy6ZBM506PcXShnsoQQGebSpUt8P/172lpW\nU4CqAPgQTHP7BJIu5WHx4sU6J8xY5cuX59T54/Qb9wJFu56i0Yd5iDiyN80CC+DcuXMUMFZMUWAB\nhGjVOHvqXCYmzjlef70TgYGHMBiGADfvtB7FZHqObt26SYElsgSZwkEIkWE2b95MGY9nMCXmSdau\nUFSIe5UVi9fSsWNHndJlDpPJROfOnenc+cGeX6pUKS7ZDpFEIu4kH5d0Ue2jTPnHMiFlzuPr68ve\nveF07/4OGzYUwd3dFw8PJ/3792PQoAF6xxMCkCJLCJGBDAYDDmVPtc+BDS8P+ZVTsmRJngx9kvBd\nQ2lkH3l3+ofrnGWP91es6p+zzvZlpoIFC7J69UJu3brFzZs3CQkJwcPDQ+9YQtwlY7KEEBnm2rVr\nFC9ciresh/Gn8N12Jw5m+tThq9kDeeGFF3RMmDVcuXKFZ8NacOOCnRLxLUjwvMRRljNy9Ah69+mp\ndzwhMsXly5c5cuQIefPmpUqVKij1UMObdCfL6gghdPfFiNGM+/x7Glu+pgQNucZJtnoNI7BaLJu2\nrcPdXc5mwe27MDdu3Mju3bsJCAjg5ZdfJiQkRO9YIgNER0czduJYlv3yEwaDgY7Pv0qP7j3w8/PT\nO5ouEhIS6Ny7Cz8t+wmvamaSztsI8QtmyczFVKtWTe94D0yKLCFElrBw4UJGDvuaY6cOkTcgmG5v\ndWbgoPdz1J2FQqTm3LlzhDaoQWwTG4kdABt4T4OQY0H89us+8uTJ85/7yGlav9qatbbNWKe5g78b\nODWYl4jfADdOHPiT4OBgvSM+ECmyhBBCCB21eLklv1TeiuOj5B8ojN0T6e77GuO/Hq9TMn2cO3eO\n8k9WwPqXGUzJ6xOvN+0MLNKPoUOG6pTu4cgUDkIIIYROEhIS2PDzehxvp5yew9bfwJwf5+qQSl/7\n9u3DWN+UosACsLZwsmHXRh1SuY4UWUIIIUQGSEhIQHm4gV8qJztC3LDcsrg+lM4CAgLQLjlT77zk\nJF9gPtcGcjEpsoQQQogMEBgYSN7gvLA9lWlMVtuoXru660PpLCwsDPcLCrbet8yRRcM83o3uHbrp\nE8xFpMgSQgghMoBSis8GDcfU1QnHk/7XsdeOaYCTEQM/0y+cTjw8PPhxxjxMLyZhGJZ4uwCda8Vc\nx0arWi1o2rSp3hEzlQx8F0IIITLQ2Ilj+eiTj1DF3NFsGh7XDUz8agLt2rbTO5pujh07xlcTvmJ3\nxB7y581P7069aN26dbaaK0vuLhRCCCGyAKvVyu+//467uztPPPGEzA+XA0iRJYQQQgiRCWQKByGE\nEEKILEKKLCGEEEKITPDIRZZS6kul1DGl1AGl1DKllP89fR8qpU4qpY4rpZ7NmKhCCCFEzmCxWJg/\nfz7ffvstW7ZsQYbP5EyPPCZLKfUMsEnTNKdS6gsATdMGKqUqAD8CoUAhYCNQRtM0533by5gsIYQQ\nLudwODhx4gTu7u489thjLr/Dbe3atbz8WlsIdcf+mBOPLVDQI4TNqzZRqFAhl2YRD86lY7I0Tdtw\nT+G0Byh85/vngPmaptk1TTsHnAJqPOpxhBAiuzhx4gRr1qzhyJEjekcRaZgzbw4hpQoQ2qIm1RpW\np0Tlkvzyyy8uO/758+d58bWXiFthIG6NO4njjMQd9OB0679p9mIzOaOVw2TUmKzOwJo73xcEIu/p\ni+T2GS0hhMiRoqKiCKvzLDWr1eeDV8bRoEZTalSry7lz5/SOJu6xeMliegx6i6sL7MSf8cJywZvz\no6/T+rU27Ny50yUZJk2bRNKr7lDH43+NSuEYZORM9Dl+++03l+QQrvGvE3copTYAIal0DdI0bdWd\n5wwGbJqm/fgvu0q1NB82bNjd78PCwggLC/uPuEIIkbU4nU6eDWtB0Kln6Ze0GvcEIw6S2H3oWxrW\nfZY/zxzGaEy5YLBwLU3TGPDJ+1i+d4dadwocpaC5J5YRCQz6fDDhq7dkeo79xyKwtUvlT6KbQtX2\n4NixY4SGhmZ6DvHfwsPDCQ8PT9c+0jVPllLqdaAb0EjTNOudtoEAmqZ9cefxOmCopml77ttWxmSJ\nTHHz5k1mz57Nrv37KRwSQtc33qBMmTJ6xxI51Pr16+nW5n26xUWgSD5cY65PI4ZO60a7drl3pu/M\ndPbsWcZ/N559h3+jRKHi9O7Smxo1Uh+dcu3aNQqWKoTthu/t4upeN5x4Fo3DGmvN9Mxv9u3BjDzz\ncQz1TN6hafg+mcTyL5fy9NNPZ3oO8fBcOiZLKdUUGAA890+BdcdKoJ1SyqiUKgGUBvY+6nGEeBgR\nEREUL1uWgStXMj9PHr49f55qtWvz7fjxekdLwWq18sMPP9CwRQvqNmnCuHHjiI2N1TuWeEj79u2j\nhKVpigILoHhcM3Zu25PKViK91q1bR6UalZng+J7t3Q8w77HlNGzzNMO/GJ7q8z09PdGSNEhIpTNG\nw2jyTKUj4/Xq0hPj5CQ470jesTgRn5smuaKTw6Rnnv/xgBHYcOfOjF2apvXUNO2oUmoRcBRIAnrK\nKavkHA4H+/btw2q1Ehoaitls1jtSjuB0OmnZpg0x3bvDnU+CdsDeqhWD336bpxs0oEqVKvqGvCMu\nLo6nGjXitKYR37QpuLsT8dNPfDluHPu2byckJLWr9CIrCgwMJN7rOFhS9sV5RJI3f5DrQ+VwCQkJ\nvPxaWyzLPeCp25f+nIClo5OR1UfxXPPnUvxb9/Hx4amGT/HrtN/Q+nol63MfZ6d92/YuyV6lShU+\nHzKCQU8OJumN23cXmjZ54LHVwM9rVuPmJtNX5iSyrI6LrVixgq69epFoNuPm7Y39/Hne79+fjwcN\nylYLZWZFmzdv5vlevYidNCnF5QDD7Nl0MZn4bsIEndIl98GgQYzdt4/EQYOSZXWfOpXnlGLJvHk6\nphMPIzo6mpJFy9DVuoe8/O+y9C0u8p13NfYf3kPJkiV1TJjzLFmyhM5TuxO7PuV5AsPHVnpaXmfc\nV+NS9B07dozaT9ch/nUnSa8YIFHDOM1J0CYf9m//3aUfbk6ePMn0WdOJjIqkVtVavNbxNfz9/f97\nQ6GbR7lcKCtWutDOnTt5pWtXLB9/DJUr3268fJnRw4bh6+PDu3376hswm4uMjEQrVizleAvAUawY\nZ/bv1yFV6qbPmkXiZ5+lyJrUti2rOnTAarXi5eWVxtYiK8mXLx/fThjDgLcbUMPaj0LOGkSpg+zx\n/prBHw2UAisTREdHk1Qi9Q/pjhJwMfxSqn3ly5fnj10RjBwzkpVtVuHu4c4rL7Sn/67+5MuXLzMj\np1C6dGlGfTbKpccUridFlgt9PHIklo4d/1dgAYSEYHn/fYYPHszbvXrJSu3pUL58ebQjR8DphPtO\nuRuPHOHxihV1SpZS7PXrkNqnZn9/lLs7cXFxUmRlI126vEG1alUYN2Yyhw+voeRjxVj+7nyeeuop\nvaPlSNWrV8ftawc43cEt+QcV00Z36jxZO81tixcvznfjvuM7vsvsmELI5UJX8s+fn1sTJ0Iqn5jM\n7U1lGgUAACAASURBVNtzaOdOSpQooUOynEHTNKrVqsXRSpVIevXV/50lOvL/7d15YFTV+f/x95MN\nwhZ2ZN8KskhlF5BdQKAo1RYRRREUKgJarQuoVNRvrRasaFsURS2IKIig8FM2iwEUUXaEgBL2IISd\nQMg+5/fHjBJIQCCZTJL5vP6aOffOvc88SSbPnHvuOVso9te/ErNuHTVr1gxskD5N27VjY69e0KHD\nuRu2baPCCy9wcPdujc0QuQDnHC06tmBzux2k/S0Cwgycg5mpRD0cwq6YnZQpUybQYUoho8uF+VyJ\nqCgSjh3LWmSlpJCemEjJkiUDE1ghYWZ8PmcON/zud+xftoy0pk2JOHAAt20bs6ZPzzcFFsBzo0cz\n4IEHOFOzJtSo4W08coRiEyfy9OOPq8ASuQgzY9GcRdw04Ga+r/09oW2LwrZ0SqWUYv7n81RgSb6h\nnqw89Mxzz/GPZctIfvrpc8bi2OzZtN++neV5uLRDYeacIzo6mk2bNlGxYkX69u1LsWLFAh1WFpNe\nf53HnnySsLp1ITyc1JgYHvnzn/m/ceN0E8RlSkhIIDo6GuccnTp1onTp0oEOSfLI999/T0xMDJUr\nV6Z9+/b6giJ+cyU9WSqy8tDp06dp26ULOyMiONOnD0RGUmTZMoqtWsW3y5dTr169QIcoeSwxMZHl\ny5eTnp5Ohw4dVBxcgQnjX+G5Z56nenhLjBD2pH7LE6Mf56m/jlaxKiK5RkVWAZCUlMS7777L2x9+\nSHJyMjf36MFDI0dqXqQcOHr0KLt376Zq1arKY5CZMeMDHh06jjvOLKIMtQA4SRwfFOvFuFcf5t77\nhgQ2QBE/2bVrFxP+9TKLly+mRIkSDLt9KEMGD6FIkbyZVDUYqciSoJKQkMB9I0Ywf948IqpUIeXA\nATp27Mh7b71FpUqVAh2e5IFr6jWnZeyL1KPHOe27WcH/qg5lx76t6s2SQmft2rV07tWFlCFG2u9D\n4KiHYq8ajdOuZvmCZboz2U9UZEnQcM5x/Q03sC4ykpThw6FECUhKImz6dGpu3MjW9esJDw//9QNJ\ngeXxeAgLDeNZ0ggh9JxtDsdzoZGcSDiWL8fjieREw1aN2PbnOLgzUzHlcRTrk8YLPZ/loQc156I/\n5OnahSKBtGrVKjbFxpLyyCPeAgsgMpL0++4jPiyMefPmBTZA8buQkBCiipflBHuzbDvFAcLDInTp\nRAqd7du3s/envXD7eb/bIcaZR2DyjDcDE5hkS0VWAefxeC553/T0dJYsWcLMmTOJjY31Y1T+t2LF\nClLatIHQUEhMhK++gmXLICGB0+3asSQ6OtAhSh4YNHgQKyKex3G2V9zhWBH+N+68YyChoaEXebXk\nF/Hx8bzxxhu8/PLLrFmzJiAxpKenM3fuXAYOu4t7hg9mwYIFl/X5mldOnTpFWPkICM2mQ6VSCAkJ\nCXkflFyQ5skqgBITExn77LNMeecdTh09Ss2GDRn76KMMGTz4guNPli5dSr+77iK9XDlchQqkbdhA\nl06dmDVtGiV+7gnKZadOnWL69OmsXLuWyhUqMGTQIBo0aJArxy5evDjhp06RPns2TJ0KDRtCWBiM\nHw9161KyZ89cOY/kL4cPH+aF517iwxmzSElN5vp27TlR9Qc+ONSTaxIHY4Swpfg0Mq7ax4sTvgx0\nuHIJJkycwNhnxxLSJ5L0shmE9/PQslFL/t/M+X77bDrfqVOn6NirE7HpOzl9ZwakOz4eM5fm/2rK\n4rmL8lWPaIMGDUiPS4XdBrXO/RIROj+DTu06BigyyY7GZBUwaWlpXNepEzHFi5MyaBBUqQIbN1Js\n0iQevvNO/m/cuCyv2blzJ01ateLMk09CixbextRUirzyCj1KlmTerFm5HueWLVvo2L07KVdfTWLT\npoTFxxO+aBFjn3iCMY8/nuPjHzhwgJp165JWpgxMmACVK3s3HDsGDz/M43fcwUt//3uOzyP5x5Ej\nR2jVtB2VD3WnVdpIihLFFpvNV5HPc/+oe9n43Tacc9w6oA8DB96psVgFwOLFi7nlT3/gzPIIqO4r\nGNIdRYakcWvE75gxJW8WSv/TQ/cz9cQHpLwbcXaZnnRH5K2pPN76YcY9PS5P4rhUTz/3NK8s+Bdn\nPgqDaqHe2e4/S6X4kAy+i/6ORo0aBTrEQkkD3wuxjIwMVq9ezYIFC3j5k09IfOWVc9fnO3aMIvfc\nQ9zOnZQvX/6c14565BEmx8eTNnTouQdNTqbogAFs27AhV2dDd85Rp1Ej9vTti8vco3T4MMVGjeLL\nefNo3bp1js9TqXZtDg0bBm3PW6dMS9MUSk889iTLXztKn9Rz15zbwsdsufpFNm5bHaDI5Ep1vqkL\ny25dC4PPuxvumIeidRPZv2M/ZcuW9WsM6enplKoQRdKmomcLvZ9tTKd83zAO7z7k1xgul8fj4enn\nnmbia68SUb8oGUfTKR0WxXuvT6Nz586BDq/Q0sD3Qurzzz+ncu3a9Lj7bl6YPJnE7t2zLIBM2bKE\nt2jB4sWLs7x+5dq1pDVrlvXARYtSpHFjNm3alKvxrlq1iiMpKbgbbzx3Q4UKJPfty78m587CrEd/\n+gmaN8+6oUEDTh4/zsmTJ3PlPJI/zHr/Y1qkDs/S3pDfs3fvXvbs2ROAqCQnfvjhB2ibzaiVsiFE\n1IjMk5/p6dOnychIz1pgATQM5dj+o36P4XKFhITwwrgXOLQ3nv834VNWfLSMvTF7VGDlQyqy8rk1\na9bQ7+67OfzII5x6803SmzQ5Z0mec3ir7CzNlStWhAMHsu7vHBkHDlAhmwWrcyIuLg6rWTPbOD21\narErLi5XzlOqbNns39fx4xjecVtSeKSmpRJO1kuAIYQSERJJampqAKKSnKhWvRpszsi6IdGRui+J\nyj8PA/CjUqVKUSKqJGxKz7rxqzRqNqrl9xiuVIkSJWjfvj1NmzbVfHD5lIqsfO7Zl14iacAAaNrU\n23DddbBkifcafGYnTpC2Zg3dunXLcoyR995L8blzvXfhZbZ8OWVCQ7nuuutyNeYGDRqQsW0bZGT9\n8AzbsoWmuTReYOjgwRSZPh0y3wHkHOHvv88f+vUjIiIiV84j+UOPnt3ZHPphlvZ9rCKieAh16tQJ\nQFSSE38Z+gjFnwcSzv0bDns+lQ6dO+bJCg4hISH8ZdQjFBuZcW4cRzwUe8TD039+yu8xSOGlMVn5\nXIXq1Tny4otQtaq3IS0NHnwQatWCe+6BihUhJobi//kPw/v2ZXw2g72dcwwbOZIPPvuMxJtvhooV\nKbp2LeFffcXSBQto2bJlrsfdulMn1tesSfrgwWd7tH74gcgnn2TDN99Qv379HJ8jMTGR9t26sT01\nlcQePSAsjOJLl1Lx+HG+W748y9g0Kdh+/PFH2rRoT6fTL9CUuwglgt2sYF6xQYyf9ByDBt0V6BDl\nMjnnuP/P9zN9zvskDw7BU85DyTkRVDhelpVLvs6zlRs8Hg9DHxzGjA9nENKnKKRDxmdJjBoxin88\n/5J6iQTQwPdCqU6TJuwaNgyaNDnbmJgIU6bAZ58RakaFKlV46tFHGfHAAxf8MHDO8eWXX/L6u+8S\nf+QIndu0YfiwYX7rjj948CDd+vRhz/HjpDZvTkR8PJ5Nm5j+7rvccsstuXae1NRUPvroI96bPZv0\njAxu69OHgQMH6s6yQmrDhg08+KdHWbthNRGhRSldpjT/99Iz3DnwjkCHJjmwbt06ps+czsnTJ7mx\n043ccsstAVmxYdeuXSxevJjQ0FB69+5NlSpVcnS89PR0VqxYwalTp2jZsmWOjyeBpSKrEPrH+PGM\nmzePpGefPWewu336Kc3XrmXFokUULVo0X37Tcs6xfPly1q9fT/ny5fn973+fZ/PeSOF29OhRkpOT\nqVKlSr783RdZuHAhA4fdRWrFDKxSCCkrE7nttn5M+dcUDWUooFRkFUJJSUl06N6drWlpnLnpJihR\ngogVK4j86iu+XrqUxo0bBzrEAi8lJYVPPvmELVu2ULVqVfr370/p0qUDHZaIFFBbtmyhdZfrODMr\nDDr7CqqTHiIHpnNn7dt46zUtfVMQqcgqQNLS0pg3bx4xMTFUrVqVfv36UbJkyWz3TU5OZtq0abw1\nYwZJSUn87oYbeGjkyELX9bxjxw7i4uKoV69enr23mJgYuvTsSVKlSpxq1Ihi+/fDmjXMnD6dPn36\n5EkMIlK43D3sbmbU+ISMp8+b/+uIh6L1zrB/R5zf5/+S3Kciq4DYtm0bnXv25Ey5cpxu1IhicXGw\ncSOzZ8ygZxAuB7Nnzx763X03m7duJaJaNVJ27qRHjx5Me+stoqKi/HbejIwMatSvz4F+/c6dNHXr\nVoo99RTbN28udIWsiPjfb1rUY8cbR6BV1nFlUdd7mP/iXDp06BCAyCQnrqTI0tqFeSwjI4Nuffpw\n6LbbcL17A5AIsHkzf7jjDmK3bMmTuWHyi6SkJNp26UJ8jx54xo4lKSwMkpJY9Prr9L71Vr7+3//8\ndu4lS5ZwKjLy3AILoGFDMjp14q233+aZsWP9dn4RKZzKlS3Hjr2HoNV5GzIcaftSKFeuXEDikryn\nebLy2JIlS0goWvSXAusX11yDp0MHprzzTq6fc/Xq1dw7fDg33nILzz7/PAcPHsz1c1ypmTNncuqq\nq/Dcfrt3gWeAyEhSHnqIjT/8wOrV/lsqJTY2lrQLTCWRUq8em3/80W/nFpHCa9SgkRQfb5By3tWa\n6SnUqFRdawsGERVZeWz79u0X/MeeXL8+3//wQ66eb+yzz9L5ppv4b0YGi5s04cU1a6h3zTV88803\nuXqeK/XFihWczm4y1NBQ0lu39muctWvXJnzHjmy3FdmxgwZ1617ScQ4dOsTzf/sb3fv25e777uPr\nr7/OzTBFpIAZMGAAXWp2pHi7NPhvMixIocgDaUSNDuHDKR8EOjzJQ7pcmMdq1apF+K5dJGezLWLX\nLq6+5ppcO9e3337LP994gzOvvw5lygCQ3LUrtGlD3/79ObBrF6Gh2azXlYfKRkURcuwYnmy2hZ84\nQalSpfx27htvvJHIBx7g1NKl0LXr2Q2xsYQsXcqwiRN/9Rhr1qyha69epLVtS3KzZtihQ3zcvz9D\nBwxg4vjxfotdRPKv0NBQPv3gEz755BPenPEmxxJO0KNdN0asGxFUw0FEA9/zXFpaGlXr1OHwffdB\np05nN+zYQeSjj7Jt40Zq1KiRK+caNHQo00NDvZfizlNyxAjmvPpqtsvw5KX169fTvlcvzrz1FmS+\nu3LvXiJHjeKnPXv8Op3Cxo0b6dqrFym1a5PYuDFF4+KwlSuZNmUKf/zjHy/6Wo/HQ4369dk/cCBk\nXpj11CmKjxjB/KlT6dKli99iFxGRvKOB7wVAeHg4Cz/9lBt69ybtyy9JbNSIovv2YStW8O6bb+Za\ngQWw78ABPK1bZ7+xalXi4+Nz7VxXqlmzZgy96y6mPPQQibfdBrVqYZs3EzlrFq+98orf56u69tpr\n2Rcby6xZs9i0eTPVu3dn4NSpl7Ro9jfffEOC2bnFMkDJkiTecgv/njJFRZaISBBTkRUAzZs3Z19s\nLB988AEbt2yhZseO3D1lSq6v09WmWTNWbtpESseO527IyCBj0yaaZF6qJ4Be+cc/6NapE69Mnsze\nhQtp0qgRT8yfn+sLV19IsWLFuOeeey77dfHx8ViVKmfXZsysalX2b96c8+Ak4JxzREdHs2bNGsqV\nK8ett96qyWpF5JLocmEhFhcXR4NrryVxzBj4eRHojAzC33yTlocPs3Lp0sAGWMDFxsby2zZtSJox\nA85bJiP8zTd5oEoVJk6YEKDoJDfEx8fTu3dXEhL20rx5MocPF2HtWg+TJ7/N7bcPCHR4IpKHNBmp\nZLFs2TJuuf120itVwlO5Mm7DBn7boAHzP/qI8uXLBzq8Aq/HzTezLCSE1JEjz05BsWEDxZ5/ns1r\n1lC7du3ABig50qVLG6pVW8uQIem/dFju3AmPP16MZcu+07JWIkFERZZkKy0tjS+++IJDhw5x7bXX\n0rRp00CHVGicPHmSvv378926dYQ2a4bFxxN68CAfTZ8e8JsKJGdiYmLo0qUV779/5pf6+WfTpoVS\ntOg9TJo0JTDBBTHnHHPmzGHi26/y08EDNG/SjNEPPkGLFi0CHZoUchr4LtkKDw+nV69egQ6jUIqK\niiJ64UK2bNnCunXrKFeuHN27dyc8POtyGlKw/Pjjj1x9dViWAgugYcMMPv98Y94HFeSccwx5YAgf\nrZxD4hMO6oeye9lCPv/d57z96hRu75/1TmqRQFKRJZILGjdurEtHhUz16tXZvTsDjwdCzpu2edcu\no0aNS5usVnLPihUr+OiLj0lcFwElvT8UT8twznRL576u93FTn5soXrx4gKMUOUszvouIZKN58+aU\nLVuN+fPPvTpw+DDMnRvJ/fc/FKDIgtfbM97hzJ/cLwXWL64NI6RVERYsWBCYwEQuQD1ZIiLZMDNm\nzZpHt24dWL36DM2bn+bQoTAWLw5jzJixtG3bNtAhBp1jCcdwlbIfEuOpBAkJCXkckcjFqSdLROQC\n6tevz7Ztu7j33tdISxtCvXqP8e23m3jssdGBDi0odW/bjWLzs+kbSHV4FiXTrl27vA9K5CJyfHeh\nmf0FGA+Ud84d87WNAYYAGcCDzrnF2bxOdxeKiMglS0hIoO41dTn2WCqe4REQZnDCQ9ERaXROuZ4F\nsz8PdIhSiF3J3YU56skys+pAd2BPprZGQH+gEdATmGRm6jETEZEcKVWqFN8s/YbfzqpLZI0kotp7\nKFo7kb5FevPxtNmBDk8kixz1ZJnZR8DzwKdAC+fcMV8vlsc595Jvn4XAOOfcqvNeq54sERG5Itu3\nb+fgwYNcffXVVKxYMdDhSBDI03myzKwvEOec22Tnrt1WBchcUMUBVa/0PCIiIuerV68e9erVC3QY\nIhd10SLLzJYAV2Wz6SlgDNAj8+4XOZS6rERERCSoXLTIcs51z67dzK4BagMbfb1Y1YC1ZnYdsB+o\nnmn3ar62LMaNG/fL486dO9O5c+dLj1zyneXLl/PSa6/xY2wsdWvX5tERI7S0jIiIFEjR0dFER0fn\n6Bi5snahme3i7JisRsAMoDXey4RfAL85fwCWxmQVLv989VXGvvgiZ/r3hwYNIDaWYh9+yOP3388z\nTz8d6PBERERyJGALRJvZTqBlpikcnsQ7hUM68JBzblE2r1GRVUj89NNP1G3UiOTJk6FSpbMbjh2j\n6H33sXn1aurW1RIkIiJScOX5FA4/c87V+bnA8j1/wTn3G+dcg+wKLClcZs2aBR06nFtgAZQtS8YN\nN/D+jBmBCUxERCSANH+V5FhCQgIpUVHZbksrXZoTJ0/mcUQiIiKBpyJLcqxdu3YUX70azr/86xwl\nv/uODtdfH5jAREREAkhFluRY165dqVmyJOFvvAHJyd7G1FTC/vtfKqSlcdNNNwU2QBERkQDIlYHv\nV3RiDXwvVI4cOcKAwYP56quvKFK7Nil79tCyRQtmTZ1K5cqVAx2eiIhIjgTs7sIroSKrcNq3bx87\nd+6kZs2a1KpVK9DhiIiI5AoVWSIiIiJ+ELApHERERETkXFe8QLSIiOSd77//nvffn0ZCwnHat+/K\nH/7wB4oUKRLosETkInS5UEQkH3PO8eSTj/H225O48cZUoqIy+O67Epw4UYYvv/yGqlWrBjpEkaCg\nMVkiIoXMZ599xsiR/Zk4MZHMc/6+914oe/ZcxxdffB244ESCiMZkiYgUMpMmTaB//3MLLID+/TNY\nv34du3btCkxgIvKrVGSJiORje/fuoXbtrO0REVC9ehH279+f90GJyCVRkSUiko81bNiYmJisVyiS\nkmD37hTq1KkTgKhE5FKoyBIRyccefPAJZs6M5KefzrZ5PDB5cgTdu3ejSpUqgQtORC5KA99FRPK5\nSZP+w+jRj9KmTQilS6fx7bcR1KrVmE8/XUTp0qUDHZ5IUNDdhSIihdThw4eZO3cuCQkJtGvXjrZt\n22J2WZ/3IpIDKrJERERE/EBTOIiIiIjkEyqyRERERPxARZaIiIiIH6jIEhEREfEDFVkiIiIifqAi\nS0RERMQPVGSJiIiI+IGKLBERERE/UJElIiIi4gcqskRERET8QEWWiIiIiB+oyBIRERHxAxVZIiIi\nIn6gIktERETED1RkiYiIiPiBiiwRERERP1CRJSIiIuIHKrJERERE/EBFloiIiIgfqMgSERER8QMV\nWSIiIiJ+oCJLRERExA9yVGSZ2Sgz22pmm83spUztY8xsu5ltM7MeOQ9TREREpGAJu9IXmlkX4Gbg\nt865NDOr4GtvBPQHGgFVgS/MrL5zzpMbAYuIiIgUBDnpyRoO/N05lwbgnDvsa+8LfOCcS3PO7QZi\ngdY5ilJERESkgMlJkVUP6Ghmq8ws2sxa+tqrAHGZ9ovD26MlIiIiEjQuernQzJYAV2Wz6Snfa8s4\n59qYWStgFlDnAodyOYpSREREpIC5aJHlnOt+oW1mNhyY49tvtZl5zKw8sB+onmnXar62LMaNG/fL\n486dO9O5c+dLjVtERETEb6Kjo4mOjs7RMcy5K+tkMrM/AVWcc8+YWX3gC+dcDd/A9xl4x2FVBb4A\nfuPOO5GZnd8kIiIiki+ZGc45u5zXXPHdhcA7wDtm9j2QCtwN4JyLMbNZQAyQDjygakpERESCzRX3\nZOX4xOrJEhERkQLiSnqyNOO7iIiIiB+oyBIRERHxAxVZIiIiIn6gIktERETED1RkiYiIiPiBiiwR\nERERP1CRJSIiIuIHOZmMVERECrCVK1cydeoUjh07RJs2nRk8eAhly5YNdFgihYZ6skREgoxzjocf\nHkm/ft2B/1K//mcsXvwMjRv/hs2bNwc6PJFCQzO+i4gEmYULF3L//X/k3/9OpESJs+0LFhgLFtRl\n48YfMbusia1FCj3N+C4iIr/qrbde449/PLfAArjxRseJEwfYsGFDYAITKWRUZImIBJkDB/ZTrVrW\n9pAQqFYtjIMHD+Z9UCKFkIosEZEgc+21Ldm0Ket9T8nJsHVrCo0bNw5AVCKFj4osEZEgM2rUX/j0\n0wi2bj3blp4O//lPEbp27UqNGjUCF5xIIaKB7yIiQWjevHkMHnwndesa5ct7WLvWQ/Pm1zFz5qeU\nKlUq0OGJ5DtXMvBdRZaISJBKSkpi4cKFHD9+nFatWtGkSZNAhySSb6nIEhEREfEDTeEgIiIikk+o\nyBIRERHxAxVZIiIiIn6gIktERETED1RkiYiIiPiBiiwRERERP1CRJSIiIuIHKrJERERE/EBFloiI\niIgfqMgSERER8QMVWSIiIiJ+oCJLRERExA9UZImIiIj4gYosERERET9QkSUiIiLiByqyRERERPxA\nRZaIiIiIH6jIEhEREfEDFVkiIiIifqAiS0RERMQPVGSJiIiI+IGKLBERERE/uOIiy8xam9l3Zrbe\nzFabWatM28aY2XYz22ZmPXInVBEREZGCIyc9Wf8AxjrnmgF/9T3HzBoB/YFGQE9gkpmpx+wSRUdH\nBzqEfEl5yZ7ykpVykj3lJXvKS/aUl9yRk+LnABDle1wa2O973Bf4wDmX5pzbDcQCrXNwnqCiX+zs\nKS/ZU16yUk6yp7xkT3nJnvKSO8Jy8NrRwFdmNgFvsdbW114FWJVpvzigag7OIyIiIlLgXLTIMrMl\nwFXZbHoKeBB40Dk318z6Ae8A3S9wKJejKEVEREQKGHPuyuofM0twzpXyPTbghHMuysxGAzjnXvRt\nWwg845z79rzXq/ASERGRAsM5Z5ezf04uF8aaWSfn3DKgK/Cjr30eMMPM/on3MmE94LucBioiIiJS\nkOSkyBoG/MfMigBJvuc452LMbBYQA6QDD7gr7S4TERERKaCu+HKhiIiIiFxYns9fpUlML8zMRpnZ\nVjPbbGYvZWoP9rz8xcw8ZlY2U1vQ5sTMxvt+Tzaa2Rwzi8q0LWjzAmBmPX3vfbuZPRHoeALFzKqb\n2ZdmtsX3efKgr72smS0xsx/NbLGZlQ50rHnNzEJ9/3/m+54rJ2alzWy273MlxsyuU15++TzdYmbf\nm9kMMytyuXkJxCShmsQ0G2bWBbgZ+K1z7hpggq892PNSHe9dq3sytQV1ToDFQGPn3LV4x0KOAeXF\nzEKBf+N9742AAWbWMLBRBUwa8LBzrjHQBhjhy8VoYIlzrj7wP9/zYPMQ3uEsP1/GUU7gVeBz51xD\n4LfANoI8L2ZWCxgKNHfONQFCgdu5zLwE4gNYk5hmbzjwd+dcGoBz7rCvPdjz8k/g8fPagjonzrkl\nzjmP7+m3QDXf46DOC973Guuc2+37O/oQb06CjnPuoHNug+/xaWAr3huRbgam+nabCvw+MBEGhplV\nA3oDU4Cfb74K9pxEAR2cc+8AOOfSnXMnCfK8AAl4v6wUM7MwoBjwE5eZl0AUWaOBl81sLzAe37dw\nvJOYxmXaL9gmMa0HdDSzVWYWbWYtfe1Bmxcz6wvEOec2nbcpaHOSjSHA577HwZ6XqsC+TM+D7f1n\ny/eNvBnegryScy7etykeqBSgsALlFeAxwJOpLdhzUhs4bGbvmtk6M3vLzIoT5Hlxzh0DXgb24i2u\nTjjnlnCZecnJ3YUXpElMs/creQkDyjjn2vjGqc0C6lzgUIUmL7+SkzFA5nFFF5v2o9DkBC6alyed\ncz+PJXkKSHXOzbjIoQpVXn5FML3XS2JmJYCPgYecc6e8Uxp6OedcMM1XaGZ9gEPOufVm1jm7fYIt\nJz5hQHNgpHNutZlN5LxLYMGYFzOrC/wZqAWcBD4ys4GZ97mUvPilyHLOXahowsymO+e6+Z7Oxttt\nC97LhtUz7VqNs5cSC4VfyctwYI5vv9W+gd7lKeR5uVBOzOwavN+wNvr+MVQD1prZdRTynMDFf1cA\nzOwevJc9bsjUXOjz8ivOf//VObdnL6iYWTjeAus959wnvuZ4M7vKOXfQzCoDhwIXYZ5rB9xs3cmn\nNQAAAaNJREFUZr2BokApM3uP4M4JeP9G4pxzq33PZ+P9gnswyPPSEljpnDsKYGZz8C4feFl5CcTl\nwlgz6+R7fP4kprebWYSZ1eYCk5gWYp/gzQdmVh+IcM4dIUjz4pzb7Jyr5Jyr7ZyrjfeDoLmvmzYo\nc/IzM+uJ95JHX+dccqZNQZ0XYA1Qz8xqmVkE3psA5gU4poAw7zeTt4EY59zETJvmAYN8jwfh/dwJ\nCs65J51z1X2fJ7cDS51zdxHEOQHv+D1gn+//DkA3YAswnyDOC97B/23MLNL399QN7w0Tl5UXv/Rk\n/QpNYpq9d4B3zOx7IBW4G5SXTH55z8oJ/wIigCW+Xr5vnHMPBHtenHPpZjYSWIT3TqC3nXNbAxxW\noFwPDAQ2mdl6X9sY4EVglpndC+wGbgtMePnCz38bygmMAt73fTnZAQzG+zcUtHlxzm00s2l4v7x5\ngHXAm0BJLiMvmoxURERExA+CZg4dERERkbykIktERETED1RkiYiIiPiBiiwRERERP1CRJSIiIuIH\nKrJERERE/EBFloiIiIgfqMgSERER8YP/D8ij9mkAW/Q1AAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1026b6b00>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plot_cluster(kmeans_red, reduced_data)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Cell Info Clustering"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Disease.Area</th>\n",
       "      <th>Tissue..General.</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>22RV1</th>\n",
       "      <td>Urology</td>\n",
       "      <td>male genital system</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>647-V</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>A549</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BFTC-905</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-20</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-474</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>C32</th>\n",
       "      <td>Niche</td>\n",
       "      <td>soft tissue</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-120</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-148</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-51</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Calu-3</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Calu-6</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAMA-1</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>COLO-205</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DMS-114</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DU-4475</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>EVSA-T</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1143</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1187</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1395</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1419</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1428</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1500</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1569</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1806</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1937</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1954</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC38</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1793</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1975</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2085</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2170</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2228</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H226</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2291</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H23</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H3122</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H358</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H520</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H522</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H747</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H838</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-SNU-16</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (upper)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>RKO</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>RT4</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW48</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW620</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW780</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW837</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW900</th>\n",
       "      <td>Lung</td>\n",
       "      <td>lung</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW948</th>\n",
       "      <td>GI</td>\n",
       "      <td>gastrointestinal tract (lower)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>T-24</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>T47D</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TCCSUP</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>UACC-812</th>\n",
       "      <td>Breast</td>\n",
       "      <td>breast</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>UM-UC-3</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>VCaP</th>\n",
       "      <td>Urology</td>\n",
       "      <td>male genital system</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>VM-CUB-1</th>\n",
       "      <td>Urology</td>\n",
       "      <td>urinary tract</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>85 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "           Disease.Area                Tissue..General.\n",
       "22RV1           Urology             male genital system\n",
       "647-V           Urology                   urinary tract\n",
       "A549               Lung                            lung\n",
       "BFTC-905        Urology                   urinary tract\n",
       "BT-20            Breast                          breast\n",
       "BT-474           Breast                          breast\n",
       "BT-549           Breast                          breast\n",
       "C32               Niche                     soft tissue\n",
       "CAL-120          Breast                          breast\n",
       "CAL-148          Breast                          breast\n",
       "CAL-51           Breast                          breast\n",
       "Calu-3             Lung                            lung\n",
       "Calu-6             Lung                            lung\n",
       "CAMA-1           Breast                          breast\n",
       "COLO-205             GI  gastrointestinal tract (lower)\n",
       "DMS-114            Lung                            lung\n",
       "DU-4475          Breast                          breast\n",
       "EVSA-T           Breast                          breast\n",
       "HCC1143          Breast                          breast\n",
       "HCC1187          Breast                          breast\n",
       "HCC1395          Breast                          breast\n",
       "HCC1419          Breast                          breast\n",
       "HCC1428          Breast                          breast\n",
       "HCC1500          Breast                          breast\n",
       "HCC1569          Breast                          breast\n",
       "HCC1806          Breast                          breast\n",
       "HCC1937          Breast                          breast\n",
       "HCC1954          Breast                          breast\n",
       "HCC38            Breast                          breast\n",
       "HCC70            Breast                          breast\n",
       "...                 ...                             ...\n",
       "NCI-H1793          Lung                            lung\n",
       "NCI-H1975          Lung                            lung\n",
       "NCI-H2085          Lung                            lung\n",
       "NCI-H2170          Lung                            lung\n",
       "NCI-H2228          Lung                            lung\n",
       "NCI-H226           Lung                            lung\n",
       "NCI-H2291          Lung                            lung\n",
       "NCI-H23            Lung                            lung\n",
       "NCI-H3122          Lung                            lung\n",
       "NCI-H358           Lung                            lung\n",
       "NCI-H520           Lung                            lung\n",
       "NCI-H522           Lung                            lung\n",
       "NCI-H747             GI  gastrointestinal tract (lower)\n",
       "NCI-H838           Lung                            lung\n",
       "NCI-SNU-16           GI  gastrointestinal tract (upper)\n",
       "RKO                  GI  gastrointestinal tract (lower)\n",
       "RT4             Urology                   urinary tract\n",
       "SW48                 GI  gastrointestinal tract (lower)\n",
       "SW620                GI  gastrointestinal tract (lower)\n",
       "SW780           Urology                   urinary tract\n",
       "SW837                GI  gastrointestinal tract (lower)\n",
       "SW900              Lung                            lung\n",
       "SW948                GI  gastrointestinal tract (lower)\n",
       "T-24            Urology                   urinary tract\n",
       "T47D             Breast                          breast\n",
       "TCCSUP          Urology                   urinary tract\n",
       "UACC-812         Breast                          breast\n",
       "UM-UC-3         Urology                   urinary tract\n",
       "VCaP            Urology             male genital system\n",
       "VM-CUB-1        Urology                   urinary tract\n",
       "\n",
       "[85 rows x 2 columns]"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cell = pd.DataFrame.from_csv('Sanger_molecular_data/cell_info.csv', header=0)\n",
    "cell.index.name = None\n",
    "cell.drop(['CCLE.Name', 'Alternative.Name', 'COSMIC'], axis=1, inplace=True)\n",
    "cell"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(85, 14)"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cell_d = pd.get_dummies(cell)\n",
    "cell_d.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{2: 39.873015873015881,\n",
       " 3: 14.764478764478763,\n",
       " 4: 4.5012870012870012,\n",
       " 5: 2.0395604395604403,\n",
       " 6: 1.1269841269841265,\n",
       " 7: 0.47619047619047661,\n",
       " 8: 2.7755575615628914e-16,\n",
       " 9: 1.9737298215558337e-16}"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cell_costs = {}\n",
    "for i in range(2, 10):\n",
    "    kmeans = KMeans(n_clusters = i)\n",
    "    kmeans.fit(cell_d.values)\n",
    "    cell_costs[i] = (1/i) * kmeans.inertia_\n",
    "cell_costs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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SSt+rPPYUUEopvRQRw4F7U0p7b/I81zhJkqSGUJU1TpENLU0F5q0tTRX/DpxeuX868Muu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\nSZKUk8VJkiQpJ4uTJElSThYnSZKknP4/4Ov2UhhKjNwAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1060624e0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.plot([cluster for (cluster, cost) in cell_costs.items()],\n",
    "         [cost for (cluster, cost) in cell_costs.items()], 'bo--')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([3, 3, 2, 3, 1, 1, 1, 0, 1, 1, 1, 2, 2, 1, 0, 2, 1, 1, 1, 1, 1, 1, 1,\n",
       "       1, 1, 1, 1, 1, 1, 1, 0, 1, 3, 3, 0, 3, 0, 0, 3, 0, 0, 1, 1, 1, 1, 1,\n",
       "       1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 0, 2,\n",
       "       0, 0, 3, 0, 0, 3, 0, 2, 0, 3, 1, 3, 1, 3, 3, 3], dtype=int32)"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cell_kmeans = KMeans(n_clusters = 4, n_init=400)\n",
    "cell_kmeans.fit(cell_d.values)\n",
    "cell_kmeans.labels_"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Therapy Cluster"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "ename": "NameError",
     "evalue": "name 'pd' is not defined",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[0;31mNameError\u001b[0m                                 Traceback (most recent call last)",
      "\u001b[0;32m<ipython-input-1-08c723073dd3>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m()\u001b[0m\n\u001b[0;32m----> 1\u001b[0;31m \u001b[0morig_data\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mpd\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mDataFrame\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfrom_csv\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'Clean_data/train2.csv'\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mheader\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mindex_col\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;32mFalse\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m      2\u001b[0m \u001b[0mtherapy\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0morig_data\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdrop\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m'SYNERGY_SCORE'\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m'QA'\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m'COMBINATION_ID'\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0maxis\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m      3\u001b[0m \u001b[0mtherapy\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mpd\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_dummies\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mtherapy\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m      4\u001b[0m \u001b[0mtherapy\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshape\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mNameError\u001b[0m: name 'pd' is not defined"
     ]
    }
   ],
   "source": [
    "orig_data = pd.DataFrame.from_csv('Clean_data/train2.csv', header=0)\n",
    "therapy = orig_data.drop(['SYNERGY_SCORE', 'QA', 'COMBINATION_ID'], axis=1)\n",
    "therapy = pd.get_dummies(therapy)\n",
    "therapy.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{2: 39.873015873015881,\n",
       " 3: 15.811965811965813,\n",
       " 4: 4.0571428571428578,\n",
       " 5: 2.0395604395604403,\n",
       " 6: 1.1269841269841265,\n",
       " 7: 0.47619047619047661,\n",
       " 8: 2.7755575615628914e-16,\n",
       " 9: 1.9737298215558337e-16}"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "therapy_costs = {}\n",
    "for i in range(2, 10):\n",
    "    kmeans = KMeans(n_clusters = i)\n",
    "    kmeans.fit(cell_d.values) # ??? should be therapy? see cluster2\n",
    "    therapy_costs[i] = (1/i) * kmeans.inertia_\n",
    "therapy_costs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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74y+/nC1iX1+yXn45G5066KCsUG1s/PivM3v2P3d7jfHjL+SOO75ZneCSKsoR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\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1099df320>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.plot([cluster for (cluster, cost) in therapy_costs.items()], \n",
    "         [cost for (cluster, cost) in therapy_costs.items()], 'bo--')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([2, 2, 0, ..., 0, 0, 0], dtype=int32)"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "therapy_kmeans = KMeans(n_clusters = 4, n_init=400)\n",
    "therapy_kmeans.fit(therapy.values)\n",
    "therapy_kmeans.labels_"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "2154"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "therapy_kmeans.labels_.size"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def add_cluster(df, therapy_data = therapy): #, therapy_data = therapy\n",
    "    rows = df['CELL_LINE'].values\n",
    "    gex_to_cluster = gex.ix[rows]\n",
    "    origin_to_cluster = cell_d.ix[rows]\n",
    "    \n",
    "    # impute missing values in gene expressions\n",
    "    imputer = Imputer(missing_values='NaN', strategy=\"mean\", axis=0)\n",
    "    imputer.fit(gex_to_cluster)\n",
    "    \n",
    "    # transform gex, add column w/ prediction\n",
    "    gex_to_cluster = pd.DataFrame(imputer.transform(gex_to_cluster), columns = gex_to_cluster.columns, index= gex_to_cluster.index)\n",
    "    \n",
    "    # cluster therapy data\n",
    "    therapy_kmeans = KMeans(n_clusters = 4, n_init=400)\n",
    "    therapy_kmeans.fit(therapy_data.values)\n",
    "    \n",
    "    df['GEX_CLUSTER'] = gex_kmeans.predict(gex_to_cluster)\n",
    "    df['ORIGIN_CLUSTER'] = cell_kmeans.predict(origin_to_cluster)\n",
    "    df['THERAPY_CLUSTER'] = therapy_kmeans.predict(therapy_data)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Original Data - NO ADDITIONAL STRUCTURAL FEATURES"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "drug_combined = pd.DataFrame.from_csv('Train_data/drugInfo_combined.csv', index_col=None)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "add_cluster(drug_combined)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th>COMPOUND_A</th>\n",
       "      <th>COMPOUND_B</th>\n",
       "      <th>MAX_CONC_A</th>\n",
       "      <th>MAX_CONC_B</th>\n",
       "      <th>IC50_A</th>\n",
       "      <th>H_A</th>\n",
       "      <th>Einf_A</th>\n",
       "      <th>IC50_B</th>\n",
       "      <th>H_B</th>\n",
       "      <th>...</th>\n",
       "      <th>A_Lipinski</th>\n",
       "      <th>A_MW</th>\n",
       "      <th>B_HBA</th>\n",
       "      <th>B_cLogP</th>\n",
       "      <th>B_HBD</th>\n",
       "      <th>B_Lipinski</th>\n",
       "      <th>B_MW</th>\n",
       "      <th>GEX_CLUSTER</th>\n",
       "      <th>ORIGIN_CLUSTER</th>\n",
       "      <th>THERAPY_CLUSTER</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BT-20</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.809002</td>\n",
       "      <td>59.122436</td>\n",
       "      <td>9.639714</td>\n",
       "      <td>0.757977</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.726984</td>\n",
       "      <td>11.150843</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.375043</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.410029</td>\n",
       "      <td>1.496901</td>\n",
       "      <td>51.921265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.313992</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>63.399635</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.392570</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>4</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.771830</td>\n",
       "      <td>41.529554</td>\n",
       "      <td>1.677924</td>\n",
       "      <td>1.119487</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.273313</td>\n",
       "      <td>4.442560</td>\n",
       "      <td>17.441897</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>67.000017</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.180147</td>\n",
       "      <td>3.095076</td>\n",
       "      <td>75.768080</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.282664</td>\n",
       "      <td>2.263455</td>\n",
       "      <td>34.219723</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>M14</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.276412</td>\n",
       "      <td>3.749313</td>\n",
       "      <td>36.292590</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.000100</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>79.232718</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>CAMA-1</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.351607</td>\n",
       "      <td>65.814282</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.008057</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.074954</td>\n",
       "      <td>37.436064</td>\n",
       "      <td>1.372342</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.141016</td>\n",
       "      <td>86.381581</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>4</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.333916</td>\n",
       "      <td>0.691399</td>\n",
       "      <td>76.917447</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>4.234800</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.715985</td>\n",
       "      <td>0.884762</td>\n",
       "      <td>38.570265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>76.000066</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.505492</td>\n",
       "      <td>25.212832</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>MFM-223</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.351511</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.798894</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>945.5000</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.055009</td>\n",
       "      <td>0.446446</td>\n",
       "      <td>54.092640</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.013427</td>\n",
       "      <td>1.546685</td>\n",
       "      <td>47.806063</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.038940</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>94.040014</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.308487</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.023901</td>\n",
       "      <td>3.796290</td>\n",
       "      <td>85.606815</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.027860</td>\n",
       "      <td>1.803079</td>\n",
       "      <td>33.760231</td>\n",
       "      <td>4.235473</td>\n",
       "      <td>0.642597</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>3.009749</td>\n",
       "      <td>82.013688</td>\n",
       "      <td>2.089504</td>\n",
       "      <td>2.383122</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.235457</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>29.271529</td>\n",
       "      <td>16.446538</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2115</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.279629</td>\n",
       "      <td>83.078909</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.299655</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2116</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2117</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2118</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.199115</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.880515</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2119</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2120</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.400137</td>\n",
       "      <td>0.101618</td>\n",
       "      <td>9.928095</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2121</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>49.800407</td>\n",
       "      <td>0.408807</td>\n",
       "      <td>1.513629</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>462.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2122</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.188912</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.165949</td>\n",
       "      <td>0.122660</td>\n",
       "      <td>2.100550</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>462.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2123</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.281863</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2124</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2125</th>\n",
       "      <td>HCT-116</td>\n",
       "      <td>IGFR_3</td>\n",
       "      <td>TKI</td>\n",
       "      <td>3.00</td>\n",
       "      <td>10.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>421.5000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>5.84000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>475.4000</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2126</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.030000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>4</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2127</th>\n",
       "      <td>NCI-H1563</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.010285</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2128</th>\n",
       "      <td>NCI-H226</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.011123</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>80.899062</td>\n",
       "      <td>0.005038</td>\n",
       "      <td>2.174639</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2129</th>\n",
       "      <td>NCI-H2291</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.01</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.002391</td>\n",
       "      <td>1.155651</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>419.5000</td>\n",
       "      <td>5.079</td>\n",
       "      <td>1.25780</td>\n",
       "      <td>3.010</td>\n",
       "      <td>0.099</td>\n",
       "      <td>402.4961</td>\n",
       "      <td>4</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2130</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.015031</td>\n",
       "      <td>1.964171</td>\n",
       "      <td>1.256086</td>\n",
       "      <td>0.134083</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2131</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.098550</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.599662</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>428.9000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2132</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.060135</td>\n",
       "      <td>1.262816</td>\n",
       "      <td>53.668078</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2133</th>\n",
       "      <td>M14</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.172157</td>\n",
       "      <td>7.940519</td>\n",
       "      <td>16.699767</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>463.6000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2134</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.018177</td>\n",
       "      <td>2.918650</td>\n",
       "      <td>2.525304</td>\n",
       "      <td>0.186303</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2135</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.096356</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>68.399727</td>\n",
       "      <td>0.169525</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.000</td>\n",
       "      <td>457.5000</td>\n",
       "      <td>4.966</td>\n",
       "      <td>2.26238</td>\n",
       "      <td>3.277</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2136</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>2.891598</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "      <td>4</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2137</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.504366</td>\n",
       "      <td>1.598284</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.933531</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2138</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.058825</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>28.614024</td>\n",
       "      <td>0.088139</td>\n",
       "      <td>1.511200</td>\n",
       "      <td>...</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2139</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>Doxorubicin</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>2.877492</td>\n",
       "      <td>0.809600</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>2.048971</td>\n",
       "      <td>...</td>\n",
       "      <td>3.000</td>\n",
       "      <td>543.5000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.000</td>\n",
       "      <td>413.5000</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2140</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000003</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>89.777949</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.000</td>\n",
       "      <td>651.8000</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "      <td>4</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2141</th>\n",
       "      <td>NCI-H520</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.003404</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>93.199856</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.000</td>\n",
       "      <td>651.8000</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2142</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.028819</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>6.698028</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.000</td>\n",
       "      <td>651.8000</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2143</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.007438</td>\n",
       "      <td>0.831225</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2144</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.029195</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>9.098033</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.213</td>\n",
       "      <td>419.7429</td>\n",
       "      <td>12.000</td>\n",
       "      <td>5.94000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>778.9000</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2145 rows × 24 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "       CELL_LINE     COMPOUND_A   COMPOUND_B  MAX_CONC_A  MAX_CONC_B  \\\n",
       "0          BT-20         ADAM17          AKT        1.00       75.00   \n",
       "1         CAL-51         ADAM17          AKT        1.00       75.00   \n",
       "2        HCC1187         ADAM17          AKT        1.00       75.00   \n",
       "3        HCC1806         ADAM17          AKT        1.00       75.00   \n",
       "4        HCC1937         ADAM17          AKT        1.00       75.00   \n",
       "5          HCC70         ADAM17          AKT        1.00       75.00   \n",
       "6     MDA-MB-231         ADAM17          AKT        1.00       75.00   \n",
       "7     MDA-MB-436         ADAM17          AKT        1.00       75.00   \n",
       "8     MDA-MB-453         ADAM17          AKT        1.00       75.00   \n",
       "9            M14         ADAM17          AKT        1.00       75.00   \n",
       "10        BT-549         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "11        CAMA-1         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "12       DU-4475         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "13       HCC1395         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "14       HCC1806         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "15         HCC70         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "16    MDA-MB-157         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "17    MDA-MB-231         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "18    MDA-MB-436         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "19    MDA-MB-468         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "20       MFM-223         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "21        BT-549         ADAM17         FGFR        1.00       75.00   \n",
       "22       HCC1143         ADAM17         FGFR        1.00       75.00   \n",
       "23       HCC1395         ADAM17         FGFR        1.00       75.00   \n",
       "24       HCC1937         ADAM17         FGFR        1.00       75.00   \n",
       "25         HCC38         ADAM17         FGFR        1.00       75.00   \n",
       "26    MDA-MB-157         ADAM17         FGFR        1.00       75.00   \n",
       "27    MDA-MB-231         ADAM17         FGFR        1.00       75.00   \n",
       "28    MDA-MB-436         ADAM17         FGFR        1.00       75.00   \n",
       "29    MDA-MB-453         ADAM17         FGFR        1.00       75.00   \n",
       "...          ...            ...          ...         ...         ...   \n",
       "2115     HCC1937  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2116    Hs-578-T  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2117  MDA-MB-468  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2118     DU-4475           FGFR      SLC16A4        1.00        1.00   \n",
       "2119       HCC70           FGFR      SLC16A4        1.00        1.00   \n",
       "2120  MDA-MB-453           FGFR      SLC16A4        1.00        1.00   \n",
       "2121     DU-4475         MTOR_1      SLC16A4        1.00        1.00   \n",
       "2122  MDA-MB-157         MTOR_1      SLC16A4        1.00        1.00   \n",
       "2123     CAL-120  PIK3CB_PIK3CD      SLC16A4        1.00        1.00   \n",
       "2124     DU-4475  PIK3CB_PIK3CD      SLC16A4        1.00        1.00   \n",
       "2125     HCT-116         IGFR_3          TKI        3.00       10.00   \n",
       "2126      Calu-3      CSNK2A1_2      TNFSF10        0.03        0.03   \n",
       "2127   NCI-H1563      CSNK2A1_2      TNFSF10        0.03        0.03   \n",
       "2128    NCI-H226      CSNK2A1_2      TNFSF10        0.03        0.10   \n",
       "2129   NCI-H2291      CSNK2A1_2      TNFSF10        0.03        0.01   \n",
       "2130     DU-4475            AKT   TNKS_PARP6        1.00        1.00   \n",
       "2131     HCC1937            AKT   TNKS_PARP6        1.00        1.00   \n",
       "2132     HCC1937           FGFR   TNKS_PARP6        1.00        1.00   \n",
       "2133         M14           FGFR   TNKS_PARP6        1.00        1.00   \n",
       "2134     DU-4475  PIK3CB_PIK3CD   TNKS_PARP6        1.00        1.00   \n",
       "2135     HCC1937  PIK3CB_PIK3CD   TNKS_PARP6        1.00        1.00   \n",
       "2136      Calu-3          ALK_2         TOP2        3.00        3.00   \n",
       "2137   NCI-H2170          ALK_2         TOP2        3.00        3.00   \n",
       "2138   NCI-H3122          ALK_2         TOP2        3.00        3.00   \n",
       "2139   NCI-H2170    Doxorubicin         TOP2        3.00        0.10   \n",
       "2140      Calu-3         BCL2L1  Vinorelbine        0.03        3.00   \n",
       "2141    NCI-H520         BCL2L1  Vinorelbine        0.01        3.00   \n",
       "2142    NCI-H838         BCL2L1  Vinorelbine        0.10        3.00   \n",
       "2143   NCI-H3122         BCL2_2  Vinorelbine        0.10        3.00   \n",
       "2144    NCI-H838         BCL2_2  Vinorelbine        0.10        3.00   \n",
       "\n",
       "        IC50_A        H_A      Einf_A     IC50_B        H_B       ...         \\\n",
       "0     1.000000   0.809002   59.122436   9.639714   0.757977       ...          \n",
       "1     1.000000   0.726984   11.150843  75.000000   0.375043       ...          \n",
       "2     0.410029   1.496901   51.921265   1.000000   0.000000       ...          \n",
       "3     0.313992  10.000000   63.399635  75.000000   0.392570       ...          \n",
       "4     1.000000   0.771830   41.529554   1.677924   1.119487       ...          \n",
       "5     0.273313   4.442560   17.441897   1.000000   0.000000       ...          \n",
       "6     1.000000  10.000000   67.000017   1.000000   0.000000       ...          \n",
       "7     0.180147   3.095076   75.768080   1.000000   0.000000       ...          \n",
       "8     0.282664   2.263455   34.219723   1.000000   0.000000       ...          \n",
       "9     0.276412   3.749313   36.292590   0.007500   0.100000       ...          \n",
       "10    0.000100   0.100000   79.232718   0.007500   0.100000       ...          \n",
       "11    1.000000   0.351607   65.814282   0.007500   0.100000       ...          \n",
       "12    0.008057  10.000000    0.074954  37.436064   1.372342       ...          \n",
       "13    1.000000   0.141016   86.381581  75.000000  10.000000       ...          \n",
       "14    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "15    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "16    0.333916   0.691399   76.917447   0.007500   4.234800       ...          \n",
       "17    0.715985   0.884762   38.570265   1.000000   0.000000       ...          \n",
       "18    1.000000  10.000000   76.000066   1.000000   0.000000       ...          \n",
       "19    1.000000   0.505492   25.212832   1.000000   0.000000       ...          \n",
       "20    0.351511  10.000000   61.798894   1.000000   0.000000       ...          \n",
       "21    0.055009   0.446446   54.092640   0.007500   0.100000       ...          \n",
       "22    1.000000   0.000000  100.000000   0.007500   0.100000       ...          \n",
       "23    0.013427   1.546685   47.806063  75.000000  10.000000       ...          \n",
       "24    0.038940   0.100000   94.040014  75.000000   0.308487       ...          \n",
       "25    0.023901   3.796290   85.606815   1.000000   0.000000       ...          \n",
       "26    0.027860   1.803079   33.760231   4.235473   0.642597       ...          \n",
       "27    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "28    1.000000   3.009749   82.013688   2.089504   2.383122       ...          \n",
       "29    0.235457  10.000000   29.271529  16.446538  10.000000       ...          \n",
       "...        ...        ...         ...        ...        ...       ...          \n",
       "2115  1.000000   0.279629   83.078909   1.000000   0.299655       ...          \n",
       "2116  1.000000   0.000000  100.000000   1.000000  10.000000       ...          \n",
       "2117  1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "2118  0.199115  10.000000   83.880515   1.000000   0.000000       ...          \n",
       "2119  1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "2120  1.000000  10.000000   94.400137   0.101618   9.928095       ...          \n",
       "2121  1.000000  10.000000   49.800407   0.408807   1.513629       ...          \n",
       "2122  0.188912  10.000000   83.165949   0.122660   2.100550       ...          \n",
       "2123  1.000000   0.000000  100.000000   0.281863  10.000000       ...          \n",
       "2124  1.000000   0.000000  100.000000   1.000000  10.000000       ...          \n",
       "2125  1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "2126  1.000000   0.000000  100.000000   0.030000  10.000000       ...          \n",
       "2127  1.000000   0.000000  100.000000   0.010285  10.000000       ...          \n",
       "2128  0.011123  10.000000   80.899062   0.005038   2.174639       ...          \n",
       "2129  1.000000   0.000000  100.000000   0.002391   1.155651       ...          \n",
       "2130  0.015031   1.964171    1.256086   0.134083  10.000000       ...          \n",
       "2131  0.098550  10.000000   61.599662   1.000000  10.000000       ...          \n",
       "2132  0.060135   1.262816   53.668078   1.000000   0.000000       ...          \n",
       "2133  0.172157   7.940519   16.699767   1.000000   0.000000       ...          \n",
       "2134  0.018177   2.918650    2.525304   0.186303  10.000000       ...          \n",
       "2135  0.096356  10.000000   68.399727   0.169525  10.000000       ...          \n",
       "2136  1.000000   0.000000  100.000000   2.891598  10.000000       ...          \n",
       "2137  2.504366   1.598284    0.000000   0.933531  10.000000       ...          \n",
       "2138  0.058825  10.000000   28.614024   0.088139   1.511200       ...          \n",
       "2139  2.877492   0.809600    0.000000   0.100000   2.048971       ...          \n",
       "2140  0.000003   0.100000   89.777949   1.000000   0.000000       ...          \n",
       "2141  0.003404  10.000000   93.199856   1.000000   0.000000       ...          \n",
       "2142  0.028819  10.000000    6.698028   1.000000   0.000000       ...          \n",
       "2143  0.007438   0.831225    0.000000   1.000000   0.000000       ...          \n",
       "2144  0.029195  10.000000    9.098033   1.000000   0.000000       ...          \n",
       "\n",
       "      A_Lipinski      A_MW   B_HBA  B_cLogP  B_HBD  B_Lipinski      B_MW  \\\n",
       "0          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "1          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "2          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "3          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "4          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "5          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "6          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "7          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "8          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "9          0.099  402.4961   8.000  1.18000  5.000       0.000  428.9000   \n",
       "10         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "11         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "12         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "13         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "14         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "15         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "16         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "17         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "18         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "19         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "20         0.099  402.4961  11.000  9.62000  4.000       3.000  945.5000   \n",
       "21         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "22         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "23         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "24         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "25         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "26         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "27         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "28         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "29         0.099  402.4961   8.000  4.43000  3.000       0.000  463.6000   \n",
       "...          ...       ...     ...      ...    ...         ...       ...   \n",
       "2115       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2116       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2117       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2118       0.000  463.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2119       0.000  463.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2120       0.000  463.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2121       0.000  462.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2122       0.000  462.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2123       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2124       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2125       0.000  421.5000   6.000  5.84000  1.000       1.000  475.4000   \n",
       "2126       0.000  419.5000   5.079  1.25780  3.010       0.099  402.4961   \n",
       "2127       0.000  419.5000   5.079  1.25780  3.010       0.099  402.4961   \n",
       "2128       0.000  419.5000   5.079  1.25780  3.010       0.099  402.4961   \n",
       "2129       0.000  419.5000   5.079  1.25780  3.010       0.099  402.4961   \n",
       "2130       0.000  428.9000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2131       0.000  428.9000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2132       0.000  463.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2133       0.000  463.6000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2134       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2135       0.000  457.5000   4.966  2.26238  3.277       0.213  419.7429   \n",
       "2136       0.213  419.7429   4.000  5.44000  0.000       1.000  413.5000   \n",
       "2137       0.213  419.7429   4.000  5.44000  0.000       1.000  413.5000   \n",
       "2138       0.213  419.7429   4.000  5.44000  0.000       1.000  413.5000   \n",
       "2139       3.000  543.5000   4.000  5.44000  0.000       1.000  413.5000   \n",
       "2140       1.000  651.8000  12.000  5.94000  2.000       3.000  778.9000   \n",
       "2141       1.000  651.8000  12.000  5.94000  2.000       3.000  778.9000   \n",
       "2142       1.000  651.8000  12.000  5.94000  2.000       3.000  778.9000   \n",
       "2143       0.213  419.7429  12.000  5.94000  2.000       3.000  778.9000   \n",
       "2144       0.213  419.7429  12.000  5.94000  2.000       3.000  778.9000   \n",
       "\n",
       "      GEX_CLUSTER  ORIGIN_CLUSTER  THERAPY_CLUSTER  \n",
       "0               6               1                3  \n",
       "1               3               1                1  \n",
       "2               6               1                3  \n",
       "3               4               1                3  \n",
       "4               6               1                1  \n",
       "5               6               1                1  \n",
       "6               1               1                3  \n",
       "7               1               1                3  \n",
       "8               0               1                1  \n",
       "9               2               0                1  \n",
       "10              1               1                3  \n",
       "11              0               1                3  \n",
       "12              3               1                2  \n",
       "13              1               1                3  \n",
       "14              4               1                3  \n",
       "15              6               1                3  \n",
       "16              3               1                3  \n",
       "17              1               1                1  \n",
       "18              1               1                3  \n",
       "19              6               1                1  \n",
       "20              0               1                3  \n",
       "21              1               1                3  \n",
       "22              4               1                3  \n",
       "23              1               1                3  \n",
       "24              6               1                3  \n",
       "25              1               1                3  \n",
       "26              3               1                1  \n",
       "27              1               1                3  \n",
       "28              1               1                3  \n",
       "29              0               1                1  \n",
       "...           ...             ...              ...  \n",
       "2115            6               1                0  \n",
       "2116            1               1                3  \n",
       "2117            6               1                3  \n",
       "2118            3               1                3  \n",
       "2119            6               1                3  \n",
       "2120            0               1                0  \n",
       "2121            3               1                0  \n",
       "2122            3               1                3  \n",
       "2123            1               1                3  \n",
       "2124            3               1                3  \n",
       "2125            3               0                3  \n",
       "2126            4               3                0  \n",
       "2127            1               3                0  \n",
       "2128            1               3                0  \n",
       "2129            4               3                0  \n",
       "2130            3               1                2  \n",
       "2131            6               1                3  \n",
       "2132            6               1                3  \n",
       "2133            2               0                1  \n",
       "2134            3               1                1  \n",
       "2135            6               1                3  \n",
       "2136            4               3                0  \n",
       "2137            3               3                2  \n",
       "2138            3               3                2  \n",
       "2139            3               3                2  \n",
       "2140            4               3                3  \n",
       "2141            3               3                3  \n",
       "2142            1               3                1  \n",
       "2143            3               3                1  \n",
       "2144            1               3                1  \n",
       "\n",
       "[2145 rows x 24 columns]"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drug_combined"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Expanded Data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "full_df = pd.DataFrame.from_csv('Train_data/drug_exp2.csv', index_col=None)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "add_cluster(full_df)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th>COMPOUND_A</th>\n",
       "      <th>COMPOUND_B</th>\n",
       "      <th>MAX_CONC_A</th>\n",
       "      <th>MAX_CONC_B</th>\n",
       "      <th>IC50_A</th>\n",
       "      <th>H_A</th>\n",
       "      <th>Einf_A</th>\n",
       "      <th>IC50_B</th>\n",
       "      <th>H_B</th>\n",
       "      <th>...</th>\n",
       "      <th>B_MW</th>\n",
       "      <th>B_ALogP/XLogP</th>\n",
       "      <th>B_PSA</th>\n",
       "      <th>B_#RotBonds</th>\n",
       "      <th>B_Arom Rings</th>\n",
       "      <th>B_Heavy atoms</th>\n",
       "      <th>B_QED</th>\n",
       "      <th>GEX_CLUSTER</th>\n",
       "      <th>ORIGIN_CLUSTER</th>\n",
       "      <th>THERAPY_CLUSTER</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BT-20</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.809002</td>\n",
       "      <td>59.122436</td>\n",
       "      <td>9.639714</td>\n",
       "      <td>0.757977</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.183214</td>\n",
       "      <td>2.503678</td>\n",
       "      <td>60.411999</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.726984</td>\n",
       "      <td>11.150843</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.375043</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.321533</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>58.599487</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>1.995866</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.398673</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>89.098894</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.410029</td>\n",
       "      <td>1.496901</td>\n",
       "      <td>51.921265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>HCC1428</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.313992</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>63.399635</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.392570</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.771830</td>\n",
       "      <td>41.529554</td>\n",
       "      <td>1.677924</td>\n",
       "      <td>1.119487</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.273313</td>\n",
       "      <td>4.442560</td>\n",
       "      <td>17.441897</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>M14</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.276412</td>\n",
       "      <td>3.749313</td>\n",
       "      <td>36.292590</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>4</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>67.000017</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.180147</td>\n",
       "      <td>3.095076</td>\n",
       "      <td>75.768080</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.282664</td>\n",
       "      <td>2.263455</td>\n",
       "      <td>34.219723</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.000100</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>79.232718</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>CAL-148</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.288908</td>\n",
       "      <td>3.871862</td>\n",
       "      <td>35.479731</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>CAMA-1</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.351607</td>\n",
       "      <td>65.814282</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.008057</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.074954</td>\n",
       "      <td>37.436064</td>\n",
       "      <td>1.372342</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.141016</td>\n",
       "      <td>86.381581</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.333916</td>\n",
       "      <td>0.691399</td>\n",
       "      <td>76.917447</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>4.234800</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>4</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.715985</td>\n",
       "      <td>0.884762</td>\n",
       "      <td>38.570265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>76.000066</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.505492</td>\n",
       "      <td>25.212832</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>MFM-223</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.351511</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.798894</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.055009</td>\n",
       "      <td>0.446446</td>\n",
       "      <td>54.092640</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>0.311347</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>78.199750</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>CAL-148</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.0</td>\n",
       "      <td>75</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2124</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.231559</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2125</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.356637</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>92.699755</td>\n",
       "      <td>0.122976</td>\n",
       "      <td>0.977204</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2126</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.685166</td>\n",
       "      <td>1.138299</td>\n",
       "      <td>87.535632</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>1.429576</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2127</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.782933</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2128</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.221318</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>14.248535</td>\n",
       "      <td>0.123363</td>\n",
       "      <td>0.790966</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2129</th>\n",
       "      <td>CAL-148</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.039256</td>\n",
       "      <td>1.621812</td>\n",
       "      <td>2.027993</td>\n",
       "      <td>0.333596</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2130</th>\n",
       "      <td>CAMA-1</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.026810</td>\n",
       "      <td>1.907569</td>\n",
       "      <td>23.015194</td>\n",
       "      <td>0.163415</td>\n",
       "      <td>1.905012</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2131</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.018177</td>\n",
       "      <td>2.918650</td>\n",
       "      <td>2.525304</td>\n",
       "      <td>0.186303</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>6</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2132</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.026025</td>\n",
       "      <td>2.096399</td>\n",
       "      <td>26.400709</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.849776</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2133</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.018281</td>\n",
       "      <td>1.820252</td>\n",
       "      <td>3.845762</td>\n",
       "      <td>0.601973</td>\n",
       "      <td>1.041648</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2134</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.005034</td>\n",
       "      <td>1.463661</td>\n",
       "      <td>11.557100</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.364359</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2135</th>\n",
       "      <td>HCC1428</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.028042</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>45.366447</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2136</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.096356</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>68.399727</td>\n",
       "      <td>0.169525</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2137</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.075813</td>\n",
       "      <td>1.374381</td>\n",
       "      <td>30.103892</td>\n",
       "      <td>0.115925</td>\n",
       "      <td>0.978402</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2138</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.017111</td>\n",
       "      <td>3.281376</td>\n",
       "      <td>14.460861</td>\n",
       "      <td>0.107079</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>4</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2139</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.052049</td>\n",
       "      <td>1.635789</td>\n",
       "      <td>18.896245</td>\n",
       "      <td>0.300003</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2140</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0.016529</td>\n",
       "      <td>1.589690</td>\n",
       "      <td>14.240013</td>\n",
       "      <td>0.183147</td>\n",
       "      <td>2.390544</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2141</th>\n",
       "      <td>DMS-114</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.637077</td>\n",
       "      <td>1.360992</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.778400</td>\n",
       "      <td>4.903316</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2142</th>\n",
       "      <td>NCI-H1299</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.466653</td>\n",
       "      <td>0.921472</td>\n",
       "      <td>1.618048</td>\n",
       "      <td>0.000300</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2143</th>\n",
       "      <td>NCI-H1563</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>0.3</td>\n",
       "      <td>3</td>\n",
       "      <td>0.300000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>78.003130</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2144</th>\n",
       "      <td>NCI-H1793</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.726660</td>\n",
       "      <td>1.542166</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2145</th>\n",
       "      <td>NCI-H1975</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.479149</td>\n",
       "      <td>1.381059</td>\n",
       "      <td>3.874539</td>\n",
       "      <td>0.542728</td>\n",
       "      <td>0.308816</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2146</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>1.844566</td>\n",
       "      <td>2.063073</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>7</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2147</th>\n",
       "      <td>NCI-H2228</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.302171</td>\n",
       "      <td>0.830244</td>\n",
       "      <td>12.295064</td>\n",
       "      <td>0.341114</td>\n",
       "      <td>2.702271</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2148</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.216809</td>\n",
       "      <td>1.284506</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2149</th>\n",
       "      <td>NCI-H358</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>1.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.197928</td>\n",
       "      <td>1.589192</td>\n",
       "      <td>31.911375</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>0.873734</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2150</th>\n",
       "      <td>NCI-H520</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>2.794214</td>\n",
       "      <td>1.110436</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>7</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2151</th>\n",
       "      <td>NCI-H522</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.336011</td>\n",
       "      <td>1.066254</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>0.688168</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2152</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>1.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.342100</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>19.798189</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2153</th>\n",
       "      <td>SW900</td>\n",
       "      <td>PIM1</td>\n",
       "      <td>TOP2_2</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3</td>\n",
       "      <td>0.428543</td>\n",
       "      <td>1.729323</td>\n",
       "      <td>16.342207</td>\n",
       "      <td>1.157256</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>588.60000</td>\n",
       "      <td>0.94000</td>\n",
       "      <td>160.82000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.42000</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2154 rows × 37 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "       CELL_LINE     COMPOUND_A   COMPOUND_B  MAX_CONC_A  MAX_CONC_B  \\\n",
       "0          BT-20         ADAM17          AKT         1.0          75   \n",
       "1        CAL-120         ADAM17          AKT         1.0          75   \n",
       "2         CAL-51         ADAM17          AKT         1.0          75   \n",
       "3        DU-4475         ADAM17          AKT         1.0          75   \n",
       "4        HCC1143         ADAM17          AKT         1.0          75   \n",
       "5        HCC1187         ADAM17          AKT         1.0          75   \n",
       "6        HCC1428         ADAM17          AKT         1.0          75   \n",
       "7        HCC1806         ADAM17          AKT         1.0          75   \n",
       "8        HCC1937         ADAM17          AKT         1.0          75   \n",
       "9          HCC70         ADAM17          AKT         1.0          75   \n",
       "10           M14         ADAM17          AKT         1.0          75   \n",
       "11    MDA-MB-231         ADAM17          AKT         1.0          75   \n",
       "12    MDA-MB-436         ADAM17          AKT         1.0          75   \n",
       "13    MDA-MB-453         ADAM17          AKT         1.0          75   \n",
       "14        BT-549         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "15       CAL-148         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "16        CAMA-1         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "17       DU-4475         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "18       HCC1395         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "19       HCC1806         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "20         HCC70         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "21    MDA-MB-157         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "22    MDA-MB-231         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "23    MDA-MB-436         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "24    MDA-MB-468         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "25       MFM-223         ADAM17  BCL2_BCL2L1         1.0          75   \n",
       "26        BT-549         ADAM17         FGFR         1.0          75   \n",
       "27       CAL-120         ADAM17         FGFR         1.0          75   \n",
       "28       CAL-148         ADAM17         FGFR         1.0          75   \n",
       "29       HCC1143         ADAM17         FGFR         1.0          75   \n",
       "...          ...            ...          ...         ...         ...   \n",
       "2124       HCC38  PIK3CB_PIK3CD      SLC16A4         1.0           1   \n",
       "2125       HCC70  PIK3CB_PIK3CD      SLC16A4         1.0           1   \n",
       "2126    Hs-578-T  PIK3CB_PIK3CD      SLC16A4         1.0           1   \n",
       "2127  MDA-MB-436  PIK3CB_PIK3CD      SLC16A4         1.0           1   \n",
       "2128      BT-549  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2129     CAL-148  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2130      CAMA-1  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2131     DU-4475  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2132     HCC1143  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2133     HCC1187  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2134     HCC1395  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2135     HCC1428  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2136     HCC1937  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2137       HCC70  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2138  MDA-MB-157  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2139  MDA-MB-231  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2140  MDA-MB-453  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1   \n",
       "2141     DMS-114           PIM1       TOP2_2         3.0           3   \n",
       "2142   NCI-H1299           PIM1       TOP2_2         3.0           3   \n",
       "2143   NCI-H1563           PIM1       TOP2_2         0.3           3   \n",
       "2144   NCI-H1793           PIM1       TOP2_2         3.0           3   \n",
       "2145   NCI-H1975           PIM1       TOP2_2         3.0           3   \n",
       "2146   NCI-H2170           PIM1       TOP2_2         3.0           3   \n",
       "2147   NCI-H2228           PIM1       TOP2_2         3.0           3   \n",
       "2148   NCI-H3122           PIM1       TOP2_2         3.0           3   \n",
       "2149    NCI-H358           PIM1       TOP2_2         1.0           3   \n",
       "2150    NCI-H520           PIM1       TOP2_2         3.0           3   \n",
       "2151    NCI-H522           PIM1       TOP2_2         3.0           3   \n",
       "2152    NCI-H838           PIM1       TOP2_2         1.0           3   \n",
       "2153       SW900           PIM1       TOP2_2         3.0           3   \n",
       "\n",
       "        IC50_A        H_A      Einf_A     IC50_B        H_B       ...         \\\n",
       "0     1.000000   0.809002   59.122436   9.639714   0.757977       ...          \n",
       "1     0.183214   2.503678   60.411999   1.000000   0.000000       ...          \n",
       "2     1.000000   0.726984   11.150843  75.000000   0.375043       ...          \n",
       "3     0.321533  10.000000   58.599487  75.000000   1.995866       ...          \n",
       "4     0.398673  10.000000   89.098894   1.000000   0.000000       ...          \n",
       "5     0.410029   1.496901   51.921265   1.000000   0.000000       ...          \n",
       "6     1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "7     0.313992  10.000000   63.399635  75.000000   0.392570       ...          \n",
       "8     1.000000   0.771830   41.529554   1.677924   1.119487       ...          \n",
       "9     0.273313   4.442560   17.441897   1.000000   0.000000       ...          \n",
       "10    0.276412   3.749313   36.292590   0.007500   0.100000       ...          \n",
       "11    1.000000  10.000000   67.000017   1.000000   0.000000       ...          \n",
       "12    0.180147   3.095076   75.768080   1.000000   0.000000       ...          \n",
       "13    0.282664   2.263455   34.219723   1.000000   0.000000       ...          \n",
       "14    0.000100   0.100000   79.232718   0.007500   0.100000       ...          \n",
       "15    0.288908   3.871862   35.479731   1.000000   0.000000       ...          \n",
       "16    1.000000   0.351607   65.814282   0.007500   0.100000       ...          \n",
       "17    0.008057  10.000000    0.074954  37.436064   1.372342       ...          \n",
       "18    1.000000   0.141016   86.381581  75.000000  10.000000       ...          \n",
       "19    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "20    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "21    0.333916   0.691399   76.917447   0.007500   4.234800       ...          \n",
       "22    0.715985   0.884762   38.570265   1.000000   0.000000       ...          \n",
       "23    1.000000  10.000000   76.000066   1.000000   0.000000       ...          \n",
       "24    1.000000   0.505492   25.212832   1.000000   0.000000       ...          \n",
       "25    0.351511  10.000000   61.798894   1.000000   0.000000       ...          \n",
       "26    0.055009   0.446446   54.092640   0.007500   0.100000       ...          \n",
       "27    0.311347  10.000000   78.199750   1.000000   0.000000       ...          \n",
       "28    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "29    1.000000   0.000000  100.000000   0.007500   0.100000       ...          \n",
       "...        ...        ...         ...        ...        ...       ...          \n",
       "2124  1.000000   0.000000  100.000000   0.231559  10.000000       ...          \n",
       "2125  0.356637  10.000000   92.699755   0.122976   0.977204       ...          \n",
       "2126  0.685166   1.138299   87.535632   1.000000   1.429576       ...          \n",
       "2127  1.000000   0.000000  100.000000   1.000000   0.782933       ...          \n",
       "2128  0.221318  10.000000   14.248535   0.123363   0.790966       ...          \n",
       "2129  0.039256   1.621812    2.027993   0.333596  10.000000       ...          \n",
       "2130  0.026810   1.907569   23.015194   0.163415   1.905012       ...          \n",
       "2131  0.018177   2.918650    2.525304   0.186303  10.000000       ...          \n",
       "2132  0.026025   2.096399   26.400709   1.000000   0.849776       ...          \n",
       "2133  0.018281   1.820252    3.845762   0.601973   1.041648       ...          \n",
       "2134  0.005034   1.463661   11.557100   1.000000   0.364359       ...          \n",
       "2135  0.028042  10.000000   45.366447   1.000000   0.000000       ...          \n",
       "2136  0.096356  10.000000   68.399727   0.169525  10.000000       ...          \n",
       "2137  0.075813   1.374381   30.103892   0.115925   0.978402       ...          \n",
       "2138  0.017111   3.281376   14.460861   0.107079  10.000000       ...          \n",
       "2139  0.052049   1.635789   18.896245   0.300003  10.000000       ...          \n",
       "2140  0.016529   1.589690   14.240013   0.183147   2.390544       ...          \n",
       "2141  0.637077   1.360992    0.000000   0.778400   4.903316       ...          \n",
       "2142  0.466653   0.921472    1.618048   0.000300   0.100000       ...          \n",
       "2143  0.300000  10.000000   78.003130   1.000000   0.000000       ...          \n",
       "2144  0.726660   1.542166    0.000000   3.000000  10.000000       ...          \n",
       "2145  0.479149   1.381059    3.874539   0.542728   0.308816       ...          \n",
       "2146  1.844566   2.063073    0.000000   1.000000   0.000000       ...          \n",
       "2147  0.302171   0.830244   12.295064   0.341114   2.702271       ...          \n",
       "2148  0.216809   1.284506    0.000000   1.000000   0.000000       ...          \n",
       "2149  0.197928   1.589192   31.911375   3.000000   0.873734       ...          \n",
       "2150  2.794214   1.110436    0.000000   1.000000   0.000000       ...          \n",
       "2151  0.336011   1.066254    0.000000   3.000000   0.688168       ...          \n",
       "2152  0.342100  10.000000   19.798189   1.000000   0.000000       ...          \n",
       "2153  0.428543   1.729323   16.342207   1.157256  10.000000       ...          \n",
       "\n",
       "           B_MW  B_ALogP/XLogP      B_PSA  B_#RotBonds  B_Arom Rings  \\\n",
       "0     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "1     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "2     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "3     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "4     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "5     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "6     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "7     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "8     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "9     428.90000        1.32000  120.16000        6.000         3.000   \n",
       "10    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "11    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "12    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "13    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "14    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "15    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "16    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "17    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "18    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "19    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "20    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "21    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "22    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "23    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "24    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "25    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "26    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "27    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "28    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "29    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "...         ...            ...        ...          ...           ...   \n",
       "2124  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2125  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2126  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2127  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2128  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2129  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2130  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2131  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2132  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2133  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2134  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2135  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2136  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2137  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2138  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2139  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2140  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "2141  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2142  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2143  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2144  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2145  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2146  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2147  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2148  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2149  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2150  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2151  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2152  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "2153  588.60000        0.94000  160.82000        5.000         2.000   \n",
       "\n",
       "      B_Heavy atoms    B_QED  GEX_CLUSTER  ORIGIN_CLUSTER  THERAPY_CLUSTER  \n",
       "0            30.000  0.57000            1               1                1  \n",
       "1            30.000  0.57000            3               1                1  \n",
       "2            30.000  0.57000            3               1                2  \n",
       "3            30.000  0.57000            6               1                0  \n",
       "4            30.000  0.57000            1               1                1  \n",
       "5            30.000  0.57000            7               1                1  \n",
       "6            30.000  0.57000            2               1                1  \n",
       "7            30.000  0.57000            1               1                1  \n",
       "8            30.000  0.57000            1               1                2  \n",
       "9            30.000  0.57000            1               1                2  \n",
       "10           30.000  0.57000            4               0                2  \n",
       "11           30.000  0.57000            3               1                1  \n",
       "12           30.000  0.57000            3               1                1  \n",
       "13           30.000  0.57000            2               1                2  \n",
       "14           60.555  0.19713            3               1                1  \n",
       "15           60.555  0.19713            2               1                2  \n",
       "16           60.555  0.19713            2               1                1  \n",
       "17           60.555  0.19713            6               1                3  \n",
       "18           60.555  0.19713            3               1                1  \n",
       "19           60.555  0.19713            1               1                1  \n",
       "20           60.555  0.19713            1               1                1  \n",
       "21           60.555  0.19713            4               1                1  \n",
       "22           60.555  0.19713            3               1                2  \n",
       "23           60.555  0.19713            3               1                1  \n",
       "24           60.555  0.19713            1               1                2  \n",
       "25           60.555  0.19713            2               1                1  \n",
       "26           34.000  0.46000            3               1                1  \n",
       "27           34.000  0.46000            3               1                1  \n",
       "28           34.000  0.46000            2               1                1  \n",
       "29           34.000  0.46000            1               1                1  \n",
       "...             ...      ...          ...             ...              ...  \n",
       "2124         23.849  0.63639            3               1                1  \n",
       "2125         23.849  0.63639            1               1                0  \n",
       "2126         23.849  0.63639            3               1                0  \n",
       "2127         23.849  0.63639            3               1                0  \n",
       "2128         23.849  0.63639            3               1                3  \n",
       "2129         23.849  0.63639            2               1                3  \n",
       "2130         23.849  0.63639            2               1                3  \n",
       "2131         23.849  0.63639            6               1                2  \n",
       "2132         23.849  0.63639            1               1                3  \n",
       "2133         23.849  0.63639            7               1                2  \n",
       "2134         23.849  0.63639            3               1                3  \n",
       "2135         23.849  0.63639            2               1                2  \n",
       "2136         23.849  0.63639            1               1                1  \n",
       "2137         23.849  0.63639            1               1                3  \n",
       "2138         23.849  0.63639            4               1                2  \n",
       "2139         23.849  0.63639            3               1                2  \n",
       "2140         23.849  0.63639            2               1                3  \n",
       "2141         42.000  0.42000            5               2                2  \n",
       "2142         42.000  0.42000            5               2                2  \n",
       "2143         42.000  0.42000            3               2                1  \n",
       "2144         42.000  0.42000            3               2                2  \n",
       "2145         42.000  0.42000            3               2                2  \n",
       "2146         42.000  0.42000            7               2                2  \n",
       "2147         42.000  0.42000            3               2                2  \n",
       "2148         42.000  0.42000            1               2                2  \n",
       "2149         42.000  0.42000            1               2                2  \n",
       "2150         42.000  0.42000            7               2                2  \n",
       "2151         42.000  0.42000            5               2                2  \n",
       "2152         42.000  0.42000            3               2                2  \n",
       "2153         42.000  0.42000            3               2                2  \n",
       "\n",
       "[2154 rows x 37 columns]"
      ]
     },
     "execution_count": 24,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "full_df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "full_df.to_csv('Train_data/clustered2.csv')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Algorithm Training"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "from sklearn.ensemble import RandomForestRegressor, AdaBoostRegressor, GradientBoostingRegressor\n",
    "from sklearn.svm import SVR, SVC\n",
    "from sklearn import cross_validation, metrics, preprocessing\n",
    "from sklearn.grid_search import GridSearchCV, RandomizedSearchCV\n",
    "import scipy.stats as stats"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def print_scores(model):\n",
    "    print(\"R^2: \" + str(model.score(X_test, y_test)))\n",
    "    print(\"RMSE: \" + str(scoring.rmse(y_test, model.predict(X_test))) ) # root mean squared error\n",
    "    print(\"MAE: \" + str(metrics.mean_absolute_error(y_test, model.predict(X_test)))) # mean absolute error\n",
    "    print(\"MAPE: \" + str(scoring.mape(y_test, model.predict(X_test)))) # mean absolute percent error\n",
    "    print(\"Error within 20: \" + str(scoring.error_within(0.2, y_test, model.predict(X_test)))) # error within\n",
    "    print(\"Pearson: \" + str(stats.pearsonr(y_test, model.predict(X_test)))) # pearson correlation"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def score(model, X_test, y_test):\n",
    "    print(\"R^2: \" + str(model.score(X_test, y_test)))\n",
    "    print(\"Error within 20: \" + str(scoring.error_within(0.2, y_test, model.predict(X_test)))) \n",
    "    print(\"Pearson: \" + str(stats.pearsonr(y_test, model.predict(X_test))))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 297,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def value_convert(dframe,columns):\n",
    "    val2num = {}\n",
    "    count=0\n",
    "    for col in columns:\n",
    "        for strval in dframe[col].values:\n",
    "            if strval in val2num:\n",
    "                continue\n",
    "            else:\n",
    "                val2num[strval] = count\n",
    "                count+=1\n",
    "    for col in columns:\n",
    "        nvals = []\n",
    "        for strval in dframe[col].values:\n",
    "            nvals.append(val2num.get(strval))\n",
    "        dframe[col] = nvals\n",
    "    return dframe"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "full_df = pd.DataFrame.from_csv('Train_data/clustered2.csv', header=0)\n",
    "# No drug database-queried features:\n",
    "\n",
    "#drug_combined = drug_combined.iloc[np.random.permutation(len(orig_data))]\n",
    "#Xpd = pd.get_dummies(drug_combined, columns=['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B']) \n",
    "#Ypd = orig_data['SYNERGY_SCORE'].reindex(drug_combined.index)\n",
    "\n",
    "full_df = full_df.iloc[np.random.permutation(len(full_df))]\n",
    "Ypd = full_df['SYNERGY_SCORE']\n",
    "Xpd = pd.get_dummies(full_df.drop('SYNERGY_SCORE', axis=1), columns=['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B']) \n",
    "#Xpd = full_df\n",
    "#value_convert(Xpd, ['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B'])\n",
    "\n",
    "Xvals = Xpd.values\n",
    "yvals = Ypd.values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Random Forest"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "RandomForestRegressor(bootstrap=True, criterion='mse', max_depth=None,\n",
       "           max_features=0.25, max_leaf_nodes=None, min_samples_leaf=1,\n",
       "           min_samples_split=2, min_weight_fraction_leaf=0.0,\n",
       "           n_estimators=1000, n_jobs=1, oob_score=False, random_state=None,\n",
       "           verbose=0, warm_start=False)"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "n_features = n_features = Xvals.shape[1]\n",
    "rfr = RandomForestRegressor(max_features=.25, max_leaf_nodes=None, \n",
    "                            max_depth = None, n_estimators = 1000)\n",
    "rfr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "R^2: 0.264867299086\n",
      "RMSE: 30.40547342103778\n",
      "MAE: 20.218928838\n",
      "MAPE: 5.13249778383\n",
      "Error within 20: 0.659217877095\n",
      "Pearson: (0.51882084287396379, 2.457234382617703e-38)\n"
     ]
    }
   ],
   "source": [
    "print_scores(rfr)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([ 0.327004  ,  0.33465428,  0.29670834,  0.24326384,  0.28963563])"
      ]
     },
     "execution_count": 34,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cross_validation.cross_val_score(rfr, Xvals, yvals, cv=5)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 158,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "n_features = Xvals.shape[1]\n",
    "param_grid_rf = {\n",
    "    'n_estimators': [100, 500, 1000],\n",
    "    'max_features': ['sqrt', 0.25]\n",
    "}\n",
    "rfr = RandomForestRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 159,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "NEW RANDOM SEARCH...\n",
      "{'n_estimators': 1000, 'max_features': 0.25}\n",
      "0.257705019754\n",
      "NEW RANDOM SEARCH...\n",
      "{'n_estimators': 1000, 'max_features': 0.25}\n",
      "0.257731117558\n",
      "NEW RANDOM SEARCH...\n",
      "{'n_estimators': 500, 'max_features': 0.25}\n",
      "0.258430387927\n"
     ]
    }
   ],
   "source": [
    "rnd_search_rf = RandomizedSearchCV(rfr, param_grid_rf, n_jobs=2)\n",
    "for i in range(3):\n",
    "    print('NEW RANDOM SEARCH...')\n",
    "    #X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)\n",
    "    rnd_search_rf.fit(Xvals, yvals)\n",
    "    print(rnd_search_rf.best_params_)\n",
    "    print(rnd_search_rf.best_score_)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Gradient Boosting"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 107,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals, random_state=0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "GradientBoostingRegressor(alpha=0.9, init=None, learning_rate=0.03, loss='ls',\n",
       "             max_depth=7, max_features='log2', max_leaf_nodes=None,\n",
       "             min_samples_leaf=1, min_samples_split=2,\n",
       "             min_weight_fraction_leaf=0.0, n_estimators=1000,\n",
       "             random_state=None, subsample=1.0, verbose=0, warm_start=False)"
      ]
     },
     "execution_count": 38,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gbr = GradientBoostingRegressor(n_estimators=1000, max_depth=7,\n",
    "                                max_features='log2', learning_rate=0.03)\n",
    "# gbr = GradientBoostingRegressor(min_samples_leaf=15, n_estimators=1000, learning_rate=0.01, max_depth=5, \n",
    "#                                 max_features='log2')\n",
    "gbr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "R^2: 0.400012371285\n",
      "RMSE: 35.722780902749435\n",
      "MAE: 19.9045369732\n",
      "MAPE: 4.99853506322\n",
      "Error within 20: 0.497217068646\n",
      "Pearson: (0.63414448101937526, 5.6297547646428895e-62)\n"
     ]
    }
   ],
   "source": [
    "print_scores(gbr)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "R^2: 0.313182353339\n",
      "RMSE: 35.096775804842444\n",
      "MAE: 20.6820780132\n",
      "MAPE: 12.9704363081\n",
      "Error within 20: 0.471243042672\n",
      "Pearson: (0.56259642840926638, 2.5680781218862149e-46)\n",
      " \n",
      "R^2: 0.34365394557\n",
      "RMSE: 41.09238130633639\n",
      "MAE: 21.9175226986\n",
      "MAPE: 5.9433973807\n",
      "Error within 20: 0.463821892393\n",
      "Pearson: (0.60835840944658826, 7.1724210490702115e-56)\n",
      " \n",
      "R^2: 0.433547397829\n",
      "RMSE: 33.84694508933758\n",
      "MAE: 20.7118587108\n",
      "MAPE: 7.10550781196\n",
      "Error within 20: 0.461966604824\n",
      "Pearson: (0.6647500671293225, 5.0908925115362152e-70)\n",
      " \n",
      "R^2: 0.337330361928\n",
      "RMSE: 32.78868063697575\n",
      "MAE: 20.45535358\n",
      "MAPE: 3.34407920868\n",
      "Error within 20: 0.454545454545\n",
      "Pearson: (0.58692646334158005, 3.3074870075156758e-51)\n",
      " \n",
      "R^2: 0.343452060094\n",
      "RMSE: 33.255035670916364\n",
      "MAE: 21.9620269333\n",
      "MAPE: 4.16207626171\n",
      "Error within 20: 0.500927643785\n",
      "Pearson: (0.58737617941883857, 2.6618801650035044e-51)\n",
      " \n",
      "R^2: 0.275482211505\n",
      "RMSE: 36.55846730180223\n",
      "MAE: 21.7284997842\n",
      "MAPE: 13.9103635654\n",
      "Error within 20: 0.513914656772\n",
      "Pearson: (0.57276849526569507, 2.5985071289979231e-48)\n",
      " \n",
      "R^2: 0.275931254543\n",
      "RMSE: 36.34841225531376\n",
      "MAE: 21.5977694456\n",
      "MAPE: 4.15246126296\n",
      "Error within 20: 0.447124304267\n",
      "Pearson: (0.59331891084666588, 1.4620517642051577e-52)\n",
      " \n",
      "R^2: 0.340730147236\n",
      "RMSE: 32.38875293683234\n",
      "MAE: 19.9676651977\n",
      "MAPE: 3.20041421643\n",
      "Error within 20: 0.506493506494\n",
      "Pearson: (0.58574663329533438, 5.8374068506802041e-51)\n",
      " \n",
      "R^2: 0.448265350026\n",
      "RMSE: 32.23449747040221\n",
      "MAE: 20.6727330744\n",
      "MAPE: 3.29820095956\n",
      "Error within 20: 0.530612244898\n",
      "Pearson: (0.67659769011260851, 2.1411541604530262e-73)\n",
      " \n",
      "R^2: 0.439794726215\n",
      "RMSE: 31.983163978938606\n",
      "MAE: 20.6344758742\n",
      "MAPE: 14.0698283623\n",
      "Error within 20: 0.458256029685\n",
      "Pearson: (0.66723520199626896, 1.0268789796740272e-70)\n",
      " \n"
     ]
    }
   ],
   "source": [
    "for i in range(10):\n",
    "    X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)\n",
    "    gbr = GradientBoostingRegressor(n_estimators=1000, max_depth=7,\n",
    "                                max_features='log2', learning_rate=0.03)\n",
    "    gbr.fit(X_train, y_train)\n",
    "    print_scores(gbr)\n",
    "    print(\" \")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.40337346413142849"
      ]
     },
     "execution_count": 40,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "slope, intercept, r_value, p_value, std_err = stats.linregress(y_test, gbr.predict(X_test))\n",
    "r_value**2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 178,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([ 0.25266754,  0.33715861,  0.34036138,  0.37051874,  0.3941883 ])"
      ]
     },
     "execution_count": 178,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cross_validation.cross_val_score(gbr, Xvals, yvals, cv=5)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 410,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "param_grid_gb = {\n",
    "    'learning_rate': [0.01],\n",
    "    'n_estimators': [1000],\n",
    "    'max_features': ['log2', 'sqrt'],\n",
    "    'max_depth': [3, 5],\n",
    "    'min_samples_leaf': [12, 15]\n",
    "}\n",
    "gbr = GradientBoostingRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 411,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'min_samples_leaf': 12, 'n_estimators': 1000, 'learning_rate': 0.01, 'max_depth': 5, 'max_features': 'log2'}\n",
      "0.285357695829\n",
      "{'min_samples_leaf': 15, 'n_estimators': 1000, 'learning_rate': 0.01, 'max_depth': 5, 'max_features': 'log2'}\n",
      "0.290567487577\n",
      "{'min_samples_leaf': 15, 'n_estimators': 1000, 'learning_rate': 0.01, 'max_depth': 5, 'max_features': 'sqrt'}\n",
      "0.285572553141\n"
     ]
    }
   ],
   "source": [
    "grid_search_gb = GridSearchCV(gbr, param_grid_gb, n_jobs=2)\n",
    "for i in range(3):\n",
    "    grid_search_gb.fit(Xvals, yvals)\n",
    "    print(grid_search_gb.best_params_)\n",
    "    print(grid_search_gb.best_score_)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Classification"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 93,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "from sklearn.metrics import roc_auc_score"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 94,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def svm_pred():\n",
    "    Yclass = Ypd > 0\n",
    "    Yclass = Yclass.astype(int)\n",
    "    Yvals = Yclass.values\n",
    "    \n",
    "#     m = Ypd.shape[0]\n",
    "#     Yclass = np.zeros(m)\n",
    "#     for i in range(m):\n",
    "#         if Ypd[i] > 5:\n",
    "#             Yclass[i] = 1\n",
    "#         elif Ypd[i] < -5:\n",
    "#             Yclass[i] = -1\n",
    "#         else:\n",
    "#             Yclass[i] = 0\n",
    "    X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, Yvals)\n",
    "    \n",
    "    svm = SVC()\n",
    "    svm.fit(X_train, y_train)\n",
    "    pred = svm.predict(X_test)\n",
    "    print(\"Classification accuracy: \" + str(svm.score(X_test, y_test)))\n",
    "    print(\"AUC: \" + str(metrics.roc_auc_score(y_test, pred)))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 95,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Classification accuracy: 0.683426443203\n",
      "AUC: 0.592041090045\n"
     ]
    }
   ],
   "source": [
    "svm_pred()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Cumulative Model"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 101,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def cumulative_model(X_train, X_test, y_train, y_test, numTests=5):\n",
    "    model = np.zeros((numTests, y_test.shape[0]))\n",
    "    for i in range(numTests):\n",
    "        gbr = GradientBoostingRegressor(n_estimators=1000, max_depth=7,\n",
    "                                    max_features='log2', learning_rate=0.03)\n",
    "        gbr.fit(X_train, y_train)\n",
    "        model[i] = gbr.predict(X_test)\n",
    "    pred = np.mean(model, axis=0)\n",
    "    slope, intercept, r_value, p_value, std_err = stats.linregress(y_test, pred)\n",
    "    \n",
    "    print(\"R^2: \" + str(r_value**2))\n",
    "    print(\"RMSE: \" + str(scoring.rmse(y_test, pred))) # root mean squared error\n",
    "    print(\"MAE: \" + str(metrics.mean_absolute_error(y_test, pred))) # mean absolute error\n",
    "    print(\"Error within 20: \" + str(scoring.error_within(20, y_test, pred))) # error within\n",
    "    print(\"Pearson: \" + str(stats.pearsonr(y_test, pred))) # pearson correlation\n",
    "    \n",
    "    return pred;"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 102,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "R^2: 0.299933225191\n",
      "RMSE: 32.81810587162303\n",
      "MAE: 21.4743384663\n",
      "Error within 20: 0.659217877095\n",
      "Pearson: (0.54766159733088637, 2.3549818611765966e-43)\n"
     ]
    }
   ],
   "source": [
    "pred = cumulative_model(X_train, X_test, y_train, y_test)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Feature testing"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 96,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def cumulative_test(Xvals, yvals, numTests=5):\n",
    "    X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals, random_state=0)\n",
    "    model = np.zeros((numTests, y_test.shape[0]))\n",
    "    \n",
    "    for i in range(numTests):\n",
    "        gbr = GradientBoostingRegressor(n_estimators=1000, max_depth=7,\n",
    "                                    max_features='log2', learning_rate=0.03)\n",
    "        gbr.fit(X_train, y_train)\n",
    "        model[i] = gbr.predict(X_test)\n",
    "    pred = np.mean(model, axis=0)\n",
    "    slope, intercept, r_value, p_value, std_err = stats.linregress(y_test, pred)\n",
    "    \n",
    "    print(\"R^2: \" + str(r_value**2))\n",
    "    print(\"Pearson: \" + str(stats.pearsonr(y_test, pred))) # pearson correlation"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 97,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def score_features():\n",
    "    features = ['HBA', 'cLogP', 'HBD', 'Lipinski', 'MW', 'ALogP/XLogP', \n",
    "            'PSA', '#RotBonds', 'Arom Rings', 'Heavy atoms', 'QED']\n",
    "    \n",
    "    print(\"Full dataframe: \")\n",
    "    cumulative_test(Xvals, yvals)\n",
    "    print(\"\\n\")\n",
    "    \n",
    "    for feat in features:\n",
    "        Xpd_mod = Xpd.drop(['A_'+feat, 'B_'+feat], axis=1)\n",
    "        Xvals_mod = Xpd.values\n",
    "        print(\"Without \" + feat + \": \")\n",
    "        cumulative_test(Xvals_mod, yvals)\n",
    "        print(\"\\n\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 103,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 99,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Full dataframe: \n",
      "R^2: 0.403236709655\n",
      "Pearson: (0.63500922013409999, 5.7630597316385793e-62)\n",
      "\n",
      "\n",
      "Without HBA: \n",
      "R^2: 0.398199422215\n",
      "Pearson: (0.63103044476047221, 5.4937223314282025e-61)\n",
      "\n",
      "\n",
      "Without cLogP: \n",
      "R^2: 0.396652825146\n",
      "Pearson: (0.62980379892921956, 1.0936583479432381e-60)\n",
      "\n",
      "\n",
      "Without HBD: \n",
      "R^2: 0.403800416914\n",
      "Pearson: (0.63545292265761433, 4.4726201613732895e-62)\n",
      "\n",
      "\n",
      "Without Lipinski: \n",
      "R^2: 0.402269831401\n",
      "Pearson: (0.6342474528142702, 8.8969788373827666e-62)\n",
      "\n",
      "\n",
      "Without MW: \n",
      "R^2: 0.401280004473\n",
      "Pearson: (0.63346665616503361, 1.3867383549825437e-61)\n",
      "\n",
      "\n",
      "Without ALogP/XLogP: \n",
      "R^2: 0.398597926064\n",
      "Pearson: (0.63134612223713016, 4.5993598311398699e-61)\n",
      "\n",
      "\n",
      "Without PSA: \n",
      "R^2: 0.395649445197\n",
      "Pearson: (0.62900671315758283, 1.7079128369486237e-60)\n",
      "\n",
      "\n",
      "Without #RotBonds: \n",
      "R^2: 0.398444042619\n",
      "Pearson: (0.63122424115253073, 4.9260925340460741e-61)\n",
      "\n",
      "\n",
      "Without Arom Rings: \n",
      "R^2: 0.405819169731\n",
      "Pearson: (0.6370393784774282, 1.8007481058056292e-62)\n",
      "\n",
      "\n",
      "Without Heavy atoms: \n",
      "R^2: 0.404214095099\n",
      "Pearson: (0.63577833802300976, 3.7128341348130642e-62)\n",
      "\n",
      "\n",
      "Without QED: \n",
      "R^2: 0.402946644605\n",
      "Pearson: (0.6347807846845327, 6.5654138398407508e-62)\n",
      "\n",
      "\n"
     ]
    }
   ],
   "source": [
    "score_features()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Visualizations"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 111,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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ciDi9GThszjevljC7yTP4vGDtY2ZN4jKDA9NqZvIN9EgNbAheg0lF\nr4gQnEMurDnV65+YXmMavMZxUKl+nJXsDxf32s2RjGo2p8ZtU4gTaVy5vqxS+3MtIVVM8+iv/ACy\nv4WN2sx1/rDRrF6TaKoczc1TrL19prW2TrfW1kPS+paljpkZ3q62YJNwdpBMhq3CTZiQPRo3c1qV\nYHnSB1t41zVX81xYsG1tPSTnwAbv+NkTM8et+a/e+u/VW3mkeFUNccDDwPnAxFJPUstNIU6ksfX3\n9w8NGkiGm/D52nYWCG2PhYaJ1tbpOUdeJs+fGUrSa6KSwbHX2traC36pPvPMMyEBLhUie3p6ss7n\n1aJNtdT6o5kjWoNLe4239vaZaecs1Ieq2DVocx0rX82dd/w5ec+fi4KKNKJqh7gj8Cb7XY/XaaQb\ncKWesNqbQpxIYwuvDZtTsKbtmmtSz0/NCVdamAgrkzddyCTzBhZk1+KFyQxvmeULmzYle43YMRYc\nRZo+QfDBoevH5pqTLd81ztecOpyau+Eev5zniMRBTZpTgSZgHvAC3jov/xtoK/XE1doU4kQaW3YA\nCd++//37Cx6r0lOjZI5SzbVqRGZ4e/rpp0OPm+pv12feig0H2377Za6/usy8OeKSI1EXWLKfWa4p\nQbLnr5ucdwLkQtdkODV3pRzfTCMwpXFVPcQB7wauw5tk91t4y19dAvy+1BNXa1OIE6mMSjddlXu8\nQqHta197sKTjF1OusMcU2z8uOPBi332zV1zI3zw7yw9l6fPWefuCIe70oZ+LacI1Ky145buG1a4l\nU4iTRlWLPnG/AD5JxpqpwIpST1ytTSFO6l0c+vVU+kt5uMfr7y9m9Oj/rUmzWq6yFztSNRk0wkad\nhs2Zlt7E229ev7fMmrc2S4W6yZa5pmsxwptUZ5f82az251rNqdKoqh3i3lXqwaPYFOKknsXli6jU\nWo/CqynkPl6h0Pbaa4XPk69cHR2zQ5fZKvVa5OpXlvn+Zoe3J4YeHxb6svcdmPWYUaOm+LVocyw4\niGG4U10Us7pCPYnDf4BEhqucEFfMZL//0zl3M/AmcCNwHHCpmSWKeK5I1SQnGAVvEs1ck4UW+7ha\nyDdZbT2VsxSJRIL583v81wdr1vSwYsXynK9j1arbca6YIy+ns3Ml48ffPrRnOBMLJxIJ5s37OLt3\njwb+g23bYN68f+LKKy/kvvseAUq73mETt371q97Erd77/BZr1mxOe05Ly1QGBh4EHqSlZSGHHno4\n2zKmTT/00AMZGFg4dFx4A7gg8IgLOOCACbz00jl4n6MEcAmjR7/CjBlHDOs1zJgxg/Xrr8TsbZxr\n5c03v0zYZ7Ne1GJCaZFYKZTygD/4/3YDK4CjgbWlpsZqb6gmbkQotkar3mq+ctXq1Fs585WnlNq2\nu+5KFKxp+8tfCh+nFN7xMudO6807AKHca0HIqNOwx+eb986rkZtl3pxzC8wb2NBusCCjxi+53Fbp\nIz29JtnMqUrU50ykFqhyc+pj/r/fAk73f1aIk0gV+0Vfb52hh9O/Kuov0GI782dPQps/rCW3vXvD\nzxU2rcZwBhxkCg9x2RPiFpoSo5hmvMzw9uyzzxa6zDmPnbrW4euPJufKa22dXvC1ZJ4j7POWOUFx\n1P+REBkpqh3ilgH34s0Ttz8wDni41BNWe1OIGxniGuLMwr+067GcYXKVc+fOwqFtcDD7eOnzq/UO\nhYe+vr6iRowWWxvrTY6bCijOZQ8WKOd6r1u3LivAVUKyL19w4fvRoyf5r8e7XWj1g2JH0Xq1fDOs\ntXW6+pyJ1FC1Q9wo4Hhggn97EvA/Sj1htTeFuJEhrs2puQx3ctVade4uXIOText+k15qiaxiAtVw\ngm/mwIbh1PYVUo3wFpQKod46p86N9QNv8nXnbxouZgBG+nqnU+ryd0SkUVU1xMVtU4gbOYoNM3EZ\n0VbsfGW1CqXp5/pxwdA2XOFNeqdbsctVlVt7OZzPRdhjM8Pbk08+WfS5h1PGsBGsXqALhrLcU4Pk\n64fZ2Xm6tbYekhEK67MWWKRRKcQpxMkIUatm11deyR/YwNLWLi1FeIg72ortpF+NQBsW1rxVGCb5\nwanX9ttvctVr35JlydUnLtWEmn9lhvTjFF9TpxAnUjsKcQpxMkJU6wt39erCoa3SI2kzj9PUNNHG\njp02rNdXyVrWsNeVuYxWJcJbsWVOvdf95jU1p5crrC9hKU3wcelyINKoqhLigLZ8W6knrPamECeN\nrFJfuH/6U/7A9tGPljaStpRJeAuNmqxVrVD+FRjSw9vs2d1FH7fUkbfp5ek3mGVtbe15BsMU1wxd\nqIwKcCK1Va0QtwF4zv93ENjqb4PAc6WesNqbQpw0ulK+cP/7v/OHtly/NsMZSVuJgJl5jObmCdbR\nMacm4SLsdY0ff0hWgGtqmlR0WbJrG/OPJM393F5rapqUttpEdsib7NfKzbKmpknW19dXsWsTJwqk\nEjfVHp36feCDgdsfAJaUesJqbwpxImbXXJM/sH3rW6Ufu9pz3SWP1dExu6bLQGWPliVj85p8hxOO\nsq/J8Oen6+iYHTr6NL28s/wAl948PdJCjJqGJY6qHeL+WMy+etkU4mQkSiTyh7arr67s+UqZ6264\nNSS5mjdLGUk6nNeVGd5uvPHGko8X1uRZ7EoRuY+R3XydWt1hZA9Q0CANiaNqh7h7gSuAdwKHAZcD\niVJPWO0tbiFOVf+Nrxrv8Y9+lD+0nXdeRU4zLPlqQUqpIQkfvTqraiNWN27cmBXgypVrsES5YTZs\nRYbhNNXWSq3/vinESRxVO8RNwltya62/fVMDGypDVf+Nr1Lv8fvelz+03X9/FQpfglxf2qV8uZYy\nGXCpX+LVnDKk3CBT7GcocyRt1H9Povj7pr+pEkc1mWIEGFPqSWq5xSnE6X+Nja/U9/i66/KHth/+\nsAaFr6BSr0NqsttZfoDL/9zhniczvG3YsKHk11hNcZzYOqq/b/V0DUSKUU6IG00Bzrn3AjcCrcB0\n59y7gc+Z2XmFnisixfnXf4V///fc9992GyxYULvyVFpv79msWdPDwIB3u6VlIb29yws+r7u7m1tu\n+T/Mn9/DwMDLwPK8zy32PH/+85859NBD0/Z5f0vrU3d3N93d3RV7XCPTNZARpVDKAx4EDgHWBvY9\nXmpqrPZGjGriVPXf+HK9x/lq2cDsueeiLnnllTvgoJwlsoKoYtOppOjvm0hxKKMmzlmB/3065x40\nsxOdc2vNrMPf96iZvbtawbIczjkr9JrqSSKRYPHiJYBXi6D/QTaeRCLB+edv5ZlnPpnzMY89Bkcf\nXcNCjUDOubTbTz31FEceeWREpRkZKvH3TX8jpdE55zAzV/iRIc8tIsTdBnwD+A7wN8AFwAlm9vFS\nTlhtcQtx0pjGjIG33sp9/8aNcMghtStPqRrhC3TTpk1Mnz49bV8c/kbE8dpXusyJRMJvSv864DWP\nr1ixPBbXQqRY5YS4YponpwC3AK8ArwI/BCaVWvVX7Q01j0gE8jWN/q//ZbZzZ9QlHL5GaA4jpk2n\ncbz21SizBn/JSEAZzalNReS8I83sk2Z2gJlNMbN/BGaUlBhFGsS3vw3OpbZM27alvna+/W3Yf//a\nl3E4EokEXV0L6OpaQCKRAGDx4iV+DUgP4NWGJGtZ6p1zLq359LnnnotF7VtSHK99HMssEncFR6fi\nNaN2FLFPpCGZQVOB/+689Ra0tNSmPJWW2WS1Zk0PK1aEj/7csmUzXV3eMNlqNfGV0yT3wgsvcPDB\nB6fti1N4q4Y4NssmlTqqWWTEyFVFB5wE9AKbgIv9n3uBRcCjpVb9VXsjRk0mUp/27MnfPHrjjWZ7\n90ZdysopdkH75uYJOdcyrdTcXOU0yRHTptMwlWqarGWzbLXOpXnfpNFRpXnimvHmhhvl/5v0BvAP\nFcyRIpEaHIRvfhMuvjj3Y/bsgVGjalemetDd3c2KFcuHanG2bHk3a9f+M15zGQwMMHRfWE1eKTU+\n6U1yqXPkO1bmqNONGzdySBxGjeSRee17e2t3PUtVqTKHHTdOtYcitZQzxJnZfcB9zrmbzWxjDcsk\nUlW7dsF+++W+/0MfgjvvDO/r1ojyNVkFv0CTzaiZahkUgl555RWmTp2ats8aqOk0juEljmUWibNi\nBjbc6JybkLzhnGtzziWqWCaRinr77fRBCJkB7hvfSG8wveuukRPgIFWD0tm5ks7OlTlr0Xp7z6al\nZSGwnNTKCWdXtCzFnsM5lxbgzIz+/v6swRkjXS3eMxGJUKH2VuD3xeyrl42Y94WR8u3ZY/bAA7n7\ntI0fH3UJ4yusf1Kl+0Ll6wM1bdq0tH5vmzZtqkoZGslI71M20l+/1D+qvGLDw8Dp5jepOufeCdxh\nZsdVKVeWRZP9jjyvvQYTJ6bvO+IIWLcO5s2DK6+E44+PpmwjRbVHQL700kscdNBBQ7dbWlp4KzCb\nclfXAlatmkeySRe8msV77729ouWQeNFkwRIH5Uz2W8wUI5cDv3LO3e/f/ltA9fESqUcfhVNPhe3b\ns+/70Y/gYx+rfZlGsmr2hcocuNDf38/ixUvo6loQuykzpLai6q8pUisFQ5yZ9Tvnjgdm4TVhfMHM\ntlSrQM65RcBn8VaHAPiimd3j33cZcCawF7jAzO6tVjmkfuzaBQ8/DL/6FfT2wujRXr+1sWO9EPe9\n78HZ+m9Fw8kMb5s2beKPf/xj6EhYzScmIiNRzuZU59xRZvYnP8AZkPyLmux49khVCuTcVcCbZnZt\nxv6ZeMt/vQd4B/AzvNUkBjMep+bUmHv1VTj8cHjjjdS+jg6YMwcWLYLx4yMrmtTAq6++ygEHHJC2\nL/k7na/ZNE6T2saprHGm5lSJg2o1p14MnAUsxg9uGU4t5YRFCnsxpwG3mtnbwAbn3HrgROA3VSyH\n1MiGDXD11XDjjdn3PfKIF+Kk8WXWvg3nP2Rxmd4i1woZcSh73FRr7jqRepFvnriz/H/n1qw0KZ93\nzn0KeAjoNbPXgINID2yb8GrkJGa2bIGHHoJf/9rr13bqqfDmm9DaCsceCz/8IcycGXUppZZOPfVU\nVq9ePXR78+bNWbVx0BjLMKmfVm3FJdyLlCJniHPOLSC8Bg4AM7uj1JM651YBB4bcdTlwA/Al//aX\n8WoCP5OrGGE7Fy1aNPTz3LlzmTt3bokllUrYsQOWLPH6syU5B5deCsnv6WOOgWuvDX++NK7MptOZ\nM2fy+OOP53y8alZEJO5Wr16d9p/WcuTrE7cMLyQdALwX+IV/16nAr83swxUpQb7CedOZ3Glmxzjn\nLgUws6/59/UDV5nZbzOeoz5xdeSKK+C662DnTu/2pZd6y1tNmRJtuSR65TSdxpn6aYlIUDl94oqZ\nJ24V8Ckze8m/PQ1YbmZdpZywYIGcmxY410XAe8zsk4GBDSeSGthweGZiU4irvY0b4e674dlnvTVG\nr7sudd9LL8GECdDSEl35pL5khrcXX3yRadOmRVSaaGhgg4gkVTvEPQkclUxGzrkm4Akzm1HKCQsW\nyLkfAMfi1QI+B3zOzDb7930Rb4qRPcCFZpa1to5CXPVt2+ZN8dHTk77/S1+C970PTjopmnJJfdu6\ndSuTJ09O26ffVREZ6aod4r4DHIlXC+aAjwHrzOzzpZyw2hTiquuBB+ADH4ATTvAGJ1x5JZxzjjdn\nm0gu1W46rWXNlmrRRKSSqh3iHDAfOMXfdb+ZrSjlZLWgEFe+xx6Db30Lmpvhvvvg3nshueLRnj3e\nCqT77BNtGSUeTjrpJH7zm9Sg8lyjTstRyz5m6s8mIpVWTohrKvQAPxE9AvzUzC4CEs651lJOJvXp\npZe8paqc87b/8T+8+doOPRRuvjk1ghS81RIqEeASiQRdXQvo6lpAIpHVKi4xt3nzZpxzQwGuo6MD\nM8sZ4Mr5PKRP2eEFrGRNWaXV8lwiIoUUXHbLOXc23qS/bUA7cDDeNCB/X92iSbXs3QujRnk/m0F3\nNxx2GHzoQzB/PvzTP3m1cNWiyU4b23CbTvV5EBEpTcEQB5xPYGUEM3vaOVfZ9hCpql/9yht0YAbP\nPQef+xz867969znnLSbvSqrILY0mO21MkydPZuvWrUO3X375ZaZOnVrweeV+Hmo5AXAjTDYsIo2j\nmBC3y8x2Jf937ZwbTZ5JgCV6zz8PP/uZNyfbK6+k9n/uc970H5mrIdQywEnj2b59O21tbWn7atkv\ntZYTAGuyYRGpJ8UMbPh34DXgU8D/As7Dm2Lk8uoXb/hG2sAGM9i6FYIzN1x7LfzudzBjhte/7bTT\noKlg78faUefwxlGJUaf6PIjISFbt0alNwGeB5OS+CeDGek1KjR7izGDlSvjf/xvWroVp06C93Wsy\njRNN0xBvH/vYx/jJT34ydHvr1q1ZtXHDoc+DiIxUVQtxftPpH6s1sW81NGKI27oVfvxj+OlPvZUR\nkj7yEfiP/4B3vUtNouVQgCheZtPpRz/6UX784x9HWCIRkXgrJ8Tl7RNnZnucc0855w41s42lFU+G\nY3AQ/vhHryk0OUJ0xw5vYt0zzoDLLoPZs6MtYyPRyMjijdS1TkVE6lUxzam/AjqABwF/GXPMzOZV\nuWwliWNN3M6dcPzx8NRT3jqjU6Z4tW6HHx51yeJnuLVqXV0LWLVqHsmRkbCczs6V3Hvv7dUtaIx0\ndXWxatWqodtbtmxh0qRJEZZIRKRxVK0mzndF8jyBffFKSXXupZe8ADdvnrdSwqGHRl2ieFKt2vDl\nC72vv/46EyZMGLo9btw4Xn/99ZqXUUREwuWsiXPOtQDnAIcDfwBuMrO3a1i2ksSxJk4qo5RatZE8\nMjLfa1fTqYhIbVSrJm45sBv4FfBBYCZwYSknEalXI3ner7BJdj/zmXN44YUNQ4957bXXGD9+fDQF\nFBGRvPKFuKPM7BgA59xS4He1KZJIaUqdTb+7u3vEBLfcdgCf5oUXvFuXXXYZX/nKVyItkYiI5Jev\nOXWtmXXkul2v1Jw6smm6kOKlmlM3p+3X74+ISO1UZZ4459xe4K3ArhbAr+PAzGxcKSesNoU4keKc\nccYZ3HbbbUO3b7/9dk4//fQISyQiMvJUpU+cmY0qvUgiUq9ee+01Jk6cOHS7o6ODRx55JMISiYhI\nKYqZYkREGoRGnYqINI46WhZdRKqlr68vLcBt37592AEukUjQ1bWArq4FJBKJShdRRESGqeCKDXGj\nPnEiKW+99RZjxowZun3ddddx4YXDnyloJM+nJyJSTVUZ2BBXCnEinko2nWp5spFJo71Fqq+cEKfm\nVJEGM3/+/LQA98Ybb6jvmwxbsvZ11ap5rFo1j/nze9SMLlJnNLBBpEG88cYbaasrnHLKKdx///0V\nOW7xP5gAABSjSURBVHapEylLfIWt6LF48RLVxonUEYU4kQZQ7VGnI3l5MhGReqU+cSIxdtVVV/Gl\nL31p6PbWrVtpa2uLsETSKDSYRaQ2NLAhQCFORoKdO3cyduzYodtXX301X/ziFyMskTQiDWwQqT6F\nuACFOGl0mrBXRKRxaHSqyAjwoQ99KC3A7dixQwFORGQE08AGkTr3+uuvM2HChKHbc+bMYfXq1dEV\nSERE6oJCnEgdU9OpiIjkouZUkTp03XXXpQW4bdu2KcCJiEgahTiROrJjxw6cc1x00UWAN+rUzJg4\ncWLEJRMRkXqj5lSROqGmUxERGQ7VxIlE7IMf/KDWOhURkWFTiBOJyJtvvolzjnvuuQfwFq43M1pb\nWyMumYiIxIGaU0UioKZTEREpl2ripKElEgm6uhbQ1bWARCIRdXG45ZZb1HQqIiIVoWW3pGHV0wLe\nmWud3nDDDZxzzjk1L4eIiNSX2K2d6pw7A1gEzADeY2aPBO67DDgT2AtcYGb3+vuPB5YB+wE/NbML\ncxxbIU4A6OpawKpV84Aef89yOjtXcu+9t9e0HGo6FRGRXOK4dupjwHzg/uBO59xM4GPATOD9wPUu\n9Q14A/AZMzsCOMI59/4alldk2P7hH/5BTaciIlI1kQxsMLMnIbuGAjgNuNXM3gY2OOfWA3/jnNsI\ntJrZg/7jfgB8BOivUZElhnp7z2bNmh4GBrzbLS0L6e1dXvXz7tixI22E6fz587njjjuqfl4RERlZ\n6m106kHAbwK3NwHvAN72f056wd8vklN3dzcrVixn8eIlAPT2Vr8/nJpORUSkVqoW4pxzq4ADQ+76\nopndWa3zigR1d3fXZCDDf/7nf/LRj3506PYbb7yh+d5ERKSqqhbizKyzhKe9AEwP3D4YrwbuBf/n\n4P4Xch1k0aJFQz/PnTuXuXPnllAUkcLeeustxowZM3T71ltv5eMf/3iEJRIRkXq2evVqVq9eXZFj\nRTrFiHPul8AlZvawf3smcAtwIl5z6c+Aw83MnHO/BS4AHgTuBr5lZll94jQ6VWpFTaciIlKu2I1O\ndc7Nd849D8wC7nbO3QNgZk8APwGeAO4BzgsksvOAG4F1wPqwACdSC+ecc05agHvzzTcV4EREpOY0\n2a9IkTKbTs8880yWLl0aYYlERCTuyqmJq7fRqSJ1SU2nIiJSb7R2qkget912m5pORUSkLinEiYR4\n6623cM5xxhlnAN7C9WaWtv6piIhIlNScKpJBTaciIhIHqokT8WnUqYiIxIlCnIx4AwMDOOf43ve+\nB8DnP/95NZ2KiEjdU3OqjGhqOhURkbhSTZyMSJmjTgcGBhTgREQkVhTiZERJNp0mR51+97vfxczY\nb7/9Ii6ZiIjI8Kg5VUaMYM3boYceyoYNG6IrjIiISJlUEycNL7PpdMeOHQpwIiISewpx0rB27dqV\n1nR6ww03YGZp65+KiIjElZpTpSGdeeaZ3HzzzQCMGjWKPXv2RFwiERGRylKIk4by8MMPc8IJJwzd\n3rVrF83NzRGWSEREpDrUnCoNYc+ePTjnhgLcXXfdhZkpwImISMNSiJPYu/DCC9lnn30Ab+ksM+ND\nH/pQxKUSERGpLjWnSmw9++yzzJw5k127dgGwe/fuoTAnIiLS6FQTJ7Gzd+9eTj75ZNrb29m1axev\nvvoqZqYAJyIiI4pCnMTK0qVLGT16NA888ABLlizBzJg8eXLUxRIREak5NadKLDz77LO0t7cD8N73\nvpf77ruP0aP18RURkZFLNXFS1/bu3cspp5wyFOAefPBBHnjgAQU4EREZ8RTipG4lm07XrFkz1HT6\nnve8J+piiYiI1AWFOKk7zz77LHPnzuWzn/0sJ598Mnv37uWss84a1jESiQRdXQvo6lpAIpGoUklF\nRESi48ws6jJUlHPOGu01jRR79+5lzpw5PPDAAwBs3bqVtra2YR8nkUgwf34PAwNfB6ClZSErViyn\nu7u7ouUVEREpl3MOM3OlPFc1cVIXwkadlhLgABYvXuIHuB7AC3OLFy+paHlFRESipt7hEqngqNN3\nv/vdPPTQQxq0ICIiUgR9W0pkdu/enTbqtFKDFnp7z2bNmh4GBrzbLS0L6e1dXpFji4iI1Av1iZOa\ne+SRR2hububoo49my5YtVZmsN5FIDDWh9vaerf5wIiJSl8rpE6cQJzXz7LPP8tWvfpU777yTG2+8\nkQ9/+MNRF0lERCRS5YQ4NadK1QVHnba3t/PEE0+UPGhBREREPBqdKlX1yCOPpI06Xb9+vQKciIhI\nBSjESVXs3r2b888/nw9+8INccsklvP3228OesFdERERyU3OqVMU+++zDkUceqaZTERGRKtHABqmY\nxx9/nKOOOoqmJlXwioiIFEMrNkikXn31Vc4//3z+7u/+jvXr10ddHBERkRFBIU5KtnfvXk4++WQO\nOOAAXnvtNf70pz9x5JFHRl0sERGREUEhTkrS39+fNur0hz/8ofq+iYiI1JD6xMmwbN++nSuuuIKf\n/OQnHH/88dx1111a61RERKREmuxXaubVV18F4KmnnlLNm4iISIQiqYlzzp0BLAJmAO8xs0f8/e8E\n/gQ86T/0v83sPP++44FlwH7AT83swhzHVk1chb3xxhuMGzcu6mKIiIg0nDiOTn0MmA/cH3LfejPr\n8LfzAvtvAD5jZkcARzjn3l+Lgo5k27dv5/zzz+e9730vg4ODURdHREREAiIJcWb2pJk9XezjnXPT\ngFYze9Df9QPgI1UpnLB3715OOeUU2traMDPuv/9+zf0mIiJSZ+rxm/kw59xa59xq59zJ/r53AJsC\nj3nB3ycV9oMf/IDRo0ezZs0alixZwvXXX6++byIiInWoagMbnHOrgAND7vqimd2Z42kvAtPNbLtz\n7jjgv5xzf12tMkpKctTp9ddfz3vf+17uu+8+jToVERGpY1X7ljazzhKesxvY7f/8iHPuGeAIvJq3\ngwMPPdjfF2rRokVDP8+dO5e5c+cOtygjzvXXXw/A1q1bVfMmIiJSJatXr2b16tUVOVak88Q5534J\nXGJmD/u3JwPbzWyvc+5deAMfjjaz15xzvwUuAB4E7ga+ZWb9IcfU6NQimRnOuayfRUREpDZiNzrV\nOTffOfc8MAu42zl3j3/XHOBR59xa4D+Bz5nZa/595wE3AuvwRrBmBTgpTnLU6SWXXDK0TwFOREQk\nXrRiwwiyd+9e5syZwwMPPMC5555LX1+fmk5FREQiFLuaOKm9pUuXDq11unTpUo06FRERiTkNP2xw\nwVGnJ510Evfff79GnYqIiDQA1cQ1MDPjAx/4AGbG1q1b+fWvf60AJyIi0iDUJ67B7dy5kzFjxkRd\nDBEREQmhPnECpEad/va3vx3apwAnIiLSmBTiGsDevXvp7OzkXe96FwBHHHFExCUSERGRalMHqZhb\nunQpn/3sZwH4r//6L0477bSISyQiIiK1oBAXU9u3b+eSSy7hpptuYvbs2dx3332MGjUq6mKJiIhI\njag5NYY2bdrEUUcdxb777suWLVtYs2aNApyIiMgIo9GpMWRmrFu3jiOPPDLqooiIiEgZNDq1wW3f\nvp2vfOUr7N27F/DecAU4ERGRkU0hro7t3buXCy64gKOOOopNmzaxa9euqIskIiIidUIDG+rUjTfe\nyFlnnQXA7373O0444YSISyQiIiL1RCGuzmzfvp1TTz2VRx99VGudioiISE5qTq0jq1at4qijjmLW\nrFk888wzWutUREREctLo1Dry3HPPsW3bNo4//vioiyIiIiI1UM7oVIU4ERERkYhoihERERGREUYh\nTkRERCSGFOJEREREYkghTkRERCSGFOJEREREYkghTkRERCSGFOJEREREYkghTkRERCSGFOJERERE\nYkghTkRERCSGFOJEREREYkghTkRERCSGFOJEREREYkghTkRERCSGFOJEREREYkghTkRERCSGFOJE\nREREYkghTkRERCSGFOJEREREYkghTkRERCSGFOJEREREYkghTkRERCSGIglxzrl/d879yTn3qHPu\nDufc+MB9lznn1jnnnnTOdQX2H++ce8y/75tRlFtERESkXkRVE3cv8Ndm9m7gaeAyAOfcTOBjwEzg\n/cD1zjnnP+cG4DNmdgRwhHPu/bUvduNbvXp11EWILV278uj6lUfXr3S6duXR9YtOJCHOzFaZ2aB/\n87fAwf7PpwG3mtnbZrYBWA/8jXNuGtBqZg/6j/sB8JFalnmk0C9j6XTtyqPrVx5dv9Lp2pVH1y86\n9dAn7kzgp/7PBwGbAvdtAt4Rsv8Ff7+IiIjIiDS6Wgd2zq0CDgy564tmdqf/mMuB3WZ2S7XKISIi\nItKInJlFc2LnPg2cBfy9mf3F33cpgJl9zb/dD1wFbAR+aWZH+fs/Acwxs3NCjhvNCxIREREpgZm5\nwo/KVrWauHz8QQn/ghfE/hK4ayVwi3PuWrzm0iOAB83MnHNvOOf+BngQ+CfgW2HHLvVCiIiIiMRJ\nJDVxzrl1QDOwzd/132Z2nn/fF/H6ye0BLjSzhL//eGAZ0AL81MwuqHW5RUREROpFZM2pIiIiIlK6\nehidWhJNGFwe59wZzrnHnXN7nXPHBfa/0zk34Jxb62/XB+7T9SP3tfPv02dvGJxzi5xzmwKftw8E\n7gu9lpLOOfd+/xqtc84tjLo8ceCc2+Cc+4P/mXvQ39fmnFvlnHvaOXevc25C1OWsF865m5xzm51z\njwX25bxe+t1NyXHtKvd3z8xiuQGdQJP/89eAr/k/zwR+D+wDvBNvrrlkjeODwIn+zz8F3h/164jw\n+s0AjgR+CRwX2P9O4LEcz9H1y3/t9Nkb/rW8Crg4ZH/YtWyKurz1tgGj/GvzTv9a/R44Kupy1fsG\nPAe0Zey7BvhX/+eFye8UbQZwCtAR/G7Idb30u1vUtavY373Y1sSZJgwui5k9aWZPF/t4Xb+UPNdO\nn73ShA1GCruWJ9a0VPFwIrDezDaY2dvAj/CunRSW+bmbByz3f16OfkeHmNmvgO0Zu3NdL/3uBuS4\ndlChv3uxDXEZNGFwZR3mV/Guds6d7O97B7p+heizV5rP+90ilgaaZHJdS0n3DuD5wG1dp+IY8DPn\n3EPOubP8fVPNbLP/82ZgajRFi41c10u/u8WpyN+9SKYYKZYmDC5PMdcvxIvAdDPb7vf3+q//v727\nC7GqCsM4/n9QRDRDTFEiS6PC8MI00MwgSzQyokQpoQ8LKUEkKu9KksyLMurGiC40+8AEw8pKTC0U\nolDxg8A0LzJLzNQbyyzz6+1iraP7zMyZGcfROdt5fjezz15777PmZZ993rPWXmtLGnrRKlmn2hg7\na0IzsXyR9Ezkefn1K8AbwPQah/IorMYck7YZExEHJPUD1kn6qVgYEeE5R1uvFfFyLKu123WvrpO4\niBjfXHmeMHgiMK6wej8wsPD6GlI2u59zXa6V9fvbpaJ1qqX41djnBHAiL2+T9DNpvr5OFb+2xA6f\ne01qbSwlLQIqCXJTsew0MTsPDeM0kOpf8taEiDiQ/x6W9Cmpy+qgpAER8Ue+BeJQh1ay/tWKlz+7\nLYiIs+fWhV73StudWpgw+IFoPGHwVEndJA3m3ITBfwB/SRolSaQJgz+75BWvT2f75iX1ldQlL19P\nit+efNFz/Bor3tfgc+885Yt/xSSgMoKryVhe6vqVwBbgxjyqvBvwMCl2VoOkHpJ65eWewATSefc5\nMC1vNg1/RltSK17+7LagPa97dd0S14KFpAmD16XvxTRhcETslLQc2EmaMHhm5GEfwEyqJwz+6tJX\nuz5ImkR66kVfYJWk7RFxL3An8LKkk8AZYEZEHMm7OX7Ujp3PvTZ5TdItpC6DX4AZAC3E0rKIOCVp\nFrCGNFJ1cUTs6uBq1bv+wKf5e6MrsDQi1kraAiyXNB3YCzzUcVWsL5KWkb4b+kraB7xEmhWiUbz8\n2a3WROzmAmPb67rnyX7NzMzMSqi03almZmZmnZmTODMzM7MSchJnZmZmVkJO4szMzMxKyEmcmZmZ\nWQk5iTMzMzMroTLPE2dmnYikq4Cv88sBwGngMGmupZERcaqj6mZm1hE8T5yZlY6kucDRiHizsK5L\nRJzuwGq1mqSuTjrN7EK5O9XMykqS3pP0jqSNwAJJcyXNLmywQ9K1eflRSZskbc/7NLr+SXpV0o+S\nfpC0QNIVkvZI6prLr6y8lrQhb79J0m5Jd+Rtukh6XdLmfJyn8/qxkr6VtBLYoeRtSbskrZW0StJk\nSXfl53lW6jRe0icXN5RmVkZO4syszAK4GhgdEbNrlCPpZtJjgW6PiOGkR8o9Utwwd9c+GBFDI2IY\nMD8i/gY2APflzaYCK3IrWgBdImIU8CzpcToA04EjETGS9GD1pyQNymXDgWciYggwGbguIm4mPU93\nNBARsR4YkusD8CSwuC3BMbPLm5M4Myu7j1t4vqCAccCtwBZJ24G7gcENtjsCHJe0OD8f99+8fhEp\nkQJ4AlhS2KfSQrYNGJSXJwCP5/fZCPQBbshlmyPi17w8BlgOEBEHgfWF434IPCapN3AbsLqZ/8/M\nOikPbDCzsvunsHyK6h+n3QvL70fEC7UOEhGnJY0kJXxTgFnAuIj4XtIgSWNJLW87C7v9l/+epvp6\nOisi1hWPn/c/1uBtVaM6S4AvgOPA8og4U6veZtZ5uSXOzC4ne4ERAJJGkFrbAvgGmCKpXy7rU7lX\nrkJST6B3RKwGngeGFYo/AJYC77aiDmuAmYX76G6S1KOJ7b4DJud74/oDYysFEXEA+B2YQ3XLn5nZ\nWW6JM7OyK3alriB1Ze4ANgG7ASJil6Q5wNo8oOEkMBP4rbBvL2ClpO6kFrLnCmUfAfOBZa2oxyJS\n1+o2SQIOAZNyecO6jgN2AvtIXbJ/NnjPvhGxu7l/3sw6L08xYmbWAklTgPsjYlo7H7dnRBzLgxg2\nkQZeHMplbwFbI8ItcWbWJLfEmZk1Q9JC4B5g4kU4/Jd58EI3YF4hgdsKHKW6NdDMrIpb4szMzMxK\nyAMbzMzMzErISZyZmZlZCTmJMzMzMyshJ3FmZmZmJeQkzszMzKyEnMSZmZmZldD/NCKNf+EmyRUA\nAAAASUVORK5CYII=\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x104decd68>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "x = y_test\n",
    "y = gbr.predict(X_test)\n",
    "plt.scatter(x, y)\n",
    "plt.plot(x, x, 'k--')\n",
    "\n",
    "m, b = np.polyfit(x, y, 1)\n",
    "plt.plot(x, m*x + b, 'b--')\n",
    "\n",
    "plt.axis([-200, 150, -200, 150])\n",
    "plt.xlabel(\"True synergy\")\n",
    "plt.ylabel(\"Predicted synergy\")\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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3cuyxHYwbt45p017jJH9JkjQkpS2zFBFdwOPAtcCaDe9n5lNb+bkOYCHwamAp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\nUgUYyiRJkirAUCZJklQB/w84swnGVLqOcQAAAABJRU5ErkJggg==\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x10ed872e8>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "#deviation = np.arange(0, 100, 5)\n",
    "deviation = np.arange(0, 1, 0.05)\n",
    "within = np.array([scoring.error_within(x, y_test, gbr.predict(X_test)) for x in deviation])\n",
    "plt.plot(deviation, within, 'o-')\n",
    "\n",
    "plt.xlabel(\"Error\")\n",
    "plt.ylabel(\"Percent within error\")\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 239,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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      "text/plain": [
       "<matplotlib.figure.Figure at 0x1366fb358>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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      "text/plain": [
       "<matplotlib.figure.Figure at 0x13d468cc0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "num_bins = 100\n",
    "n, bins, patches = plt.hist(x, num_bins, normed=1, facecolor='green', range=(-200, 200))\n",
    "plt.title('Histogram of true synergy values')\n",
    "plt.figure()\n",
    "n, bins, patches = plt.hist(y, num_bins, normed=1, facecolor='blue', range=(-200, 200))\n",
    "plt.title('Histogram of predicted synergy values')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Leaderboard 1 Submissions"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 240,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "sub_data = pd.DataFrame.from_csv('Drug_synergy_data/ch1_leaderBoard_monoTherapy.csv', index_col=None).dropna(how='all')\n",
    "base_df = pd.DataFrame.from_csv('Submission/df.csv', index_col=None)\n",
    "#add_cluster(base_df)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 241,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "sub_therapy = sub_data.drop(['SYNERGY_SCORE', 'QA', 'COMBINATION_ID'], axis=1)\n",
    "sub_therapy = pd.get_dummies(sub_therapy)\n",
    "add_cluster(base_df, therapy_data=sub_therapy)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 242,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th>COMPOUND_A</th>\n",
       "      <th>COMPOUND_B</th>\n",
       "      <th>MAX_CONC_A</th>\n",
       "      <th>MAX_CONC_B</th>\n",
       "      <th>IC50_A</th>\n",
       "      <th>H_A</th>\n",
       "      <th>Einf_A</th>\n",
       "      <th>IC50_B</th>\n",
       "      <th>H_B</th>\n",
       "      <th>...</th>\n",
       "      <th>B_MW</th>\n",
       "      <th>B_ALogP/XLogP</th>\n",
       "      <th>B_PSA</th>\n",
       "      <th>B_#RotBonds</th>\n",
       "      <th>B_Arom Rings</th>\n",
       "      <th>B_Heavy atoms</th>\n",
       "      <th>B_QED</th>\n",
       "      <th>GEX_CLUSTER</th>\n",
       "      <th>ORIGIN_CLUSTER</th>\n",
       "      <th>THERAPY_CLUSTER</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.184408</td>\n",
       "      <td>1.737511</td>\n",
       "      <td>59.575233</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CAL-148</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.153391</td>\n",
       "      <td>1.754123</td>\n",
       "      <td>1.100779</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>64.400080</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>BT-20</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>1.161732</td>\n",
       "      <td>39.164587</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.965792</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.115309</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>57.198795</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.680025</td>\n",
       "      <td>44.776852</td>\n",
       "      <td>1.460265</td>\n",
       "      <td>0.845486</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.113821</td>\n",
       "      <td>1.839558</td>\n",
       "      <td>62.844488</td>\n",
       "      <td>1.188576</td>\n",
       "      <td>0.208082</td>\n",
       "      <td>...</td>\n",
       "      <td>945.50000</td>\n",
       "      <td>5.36446</td>\n",
       "      <td>158.48754</td>\n",
       "      <td>11.564</td>\n",
       "      <td>2.847</td>\n",
       "      <td>60.555</td>\n",
       "      <td>0.19713</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.100524</td>\n",
       "      <td>0.748234</td>\n",
       "      <td>82.593193</td>\n",
       "      <td>21.936964</td>\n",
       "      <td>2.163361</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.454884</td>\n",
       "      <td>60.478423</td>\n",
       "      <td>0.010179</td>\n",
       "      <td>8.227252</td>\n",
       "      <td>...</td>\n",
       "      <td>463.60000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>91.51000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>34.000</td>\n",
       "      <td>0.46000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>MAP2K_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.264716</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>91.899118</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>457.70000</td>\n",
       "      <td>3.23000</td>\n",
       "      <td>88.41000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>27.000</td>\n",
       "      <td>0.39000</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>HCC1428</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>MAP2K_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>457.70000</td>\n",
       "      <td>3.23000</td>\n",
       "      <td>88.41000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>27.000</td>\n",
       "      <td>0.39000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>MAP2K_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.389677</td>\n",
       "      <td>0.393738</td>\n",
       "      <td>27.511524</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.185138</td>\n",
       "      <td>...</td>\n",
       "      <td>457.70000</td>\n",
       "      <td>3.23000</td>\n",
       "      <td>88.41000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>27.000</td>\n",
       "      <td>0.39000</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.282911</td>\n",
       "      <td>1.614275</td>\n",
       "      <td>26.672166</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>462.60000</td>\n",
       "      <td>3.10000</td>\n",
       "      <td>92.71000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>32.000</td>\n",
       "      <td>0.63000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.178030</td>\n",
       "      <td>2.329253</td>\n",
       "      <td>56.437305</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>462.60000</td>\n",
       "      <td>3.10000</td>\n",
       "      <td>92.71000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>32.000</td>\n",
       "      <td>0.63000</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>MFM-223</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.254188</td>\n",
       "      <td>3.350424</td>\n",
       "      <td>30.904531</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>462.60000</td>\n",
       "      <td>3.10000</td>\n",
       "      <td>92.71000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>32.000</td>\n",
       "      <td>0.63000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3C</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.314091</td>\n",
       "      <td>4.159118</td>\n",
       "      <td>39.212207</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>513.60000</td>\n",
       "      <td>2.15000</td>\n",
       "      <td>144.17000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>35.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3C</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.220609</td>\n",
       "      <td>1.166296</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>14.925592</td>\n",
       "      <td>1.490348</td>\n",
       "      <td>...</td>\n",
       "      <td>513.60000</td>\n",
       "      <td>2.15000</td>\n",
       "      <td>144.17000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>35.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>3</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3C</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.214018</td>\n",
       "      <td>2.750589</td>\n",
       "      <td>25.350196</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>513.60000</td>\n",
       "      <td>2.15000</td>\n",
       "      <td>144.17000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>35.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3C</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.308287</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>77.099773</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>513.60000</td>\n",
       "      <td>2.15000</td>\n",
       "      <td>144.17000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>35.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.566041</td>\n",
       "      <td>0.449959</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>457.50000</td>\n",
       "      <td>1.43671</td>\n",
       "      <td>99.50709</td>\n",
       "      <td>4.289</td>\n",
       "      <td>2.737</td>\n",
       "      <td>30.490</td>\n",
       "      <td>0.62948</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.152699</td>\n",
       "      <td>3.681096</td>\n",
       "      <td>67.937059</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>457.50000</td>\n",
       "      <td>1.43671</td>\n",
       "      <td>99.50709</td>\n",
       "      <td>4.289</td>\n",
       "      <td>2.737</td>\n",
       "      <td>30.490</td>\n",
       "      <td>0.62948</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.692489</td>\n",
       "      <td>71.965455</td>\n",
       "      <td>23.613717</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>457.50000</td>\n",
       "      <td>1.43671</td>\n",
       "      <td>99.50709</td>\n",
       "      <td>4.289</td>\n",
       "      <td>2.737</td>\n",
       "      <td>30.490</td>\n",
       "      <td>0.62948</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.286175</td>\n",
       "      <td>1.094505</td>\n",
       "      <td>63.131769</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>457.50000</td>\n",
       "      <td>1.43671</td>\n",
       "      <td>99.50709</td>\n",
       "      <td>4.289</td>\n",
       "      <td>2.737</td>\n",
       "      <td>30.490</td>\n",
       "      <td>0.62948</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>VCaP</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>10.00</td>\n",
       "      <td>0.662229</td>\n",
       "      <td>1.024604</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>3.109986</td>\n",
       "      <td>1.213795</td>\n",
       "      <td>...</td>\n",
       "      <td>428.90000</td>\n",
       "      <td>1.32000</td>\n",
       "      <td>120.16000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.57000</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>T47D</td>\n",
       "      <td>AKT</td>\n",
       "      <td>AKT_1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.025096</td>\n",
       "      <td>1.827829</td>\n",
       "      <td>47.520389</td>\n",
       "      <td>0.110554</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>407.50000</td>\n",
       "      <td>3.42000</td>\n",
       "      <td>83.60000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.70000</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>A549</td>\n",
       "      <td>AKT</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.016795</td>\n",
       "      <td>5.049375</td>\n",
       "      <td>7.600040</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>0.588220</td>\n",
       "      <td>...</td>\n",
       "      <td>419.50000</td>\n",
       "      <td>1.36000</td>\n",
       "      <td>136.39000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>NCI-H2291</td>\n",
       "      <td>AKT</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.002230</td>\n",
       "      <td>1.010918</td>\n",
       "      <td>11.736906</td>\n",
       "      <td>1.344380</td>\n",
       "      <td>1.344337</td>\n",
       "      <td>...</td>\n",
       "      <td>419.50000</td>\n",
       "      <td>1.36000</td>\n",
       "      <td>136.39000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>NCI-H358</td>\n",
       "      <td>AKT</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.010717</td>\n",
       "      <td>3.400062</td>\n",
       "      <td>15.912958</td>\n",
       "      <td>2.130671</td>\n",
       "      <td>0.799633</td>\n",
       "      <td>...</td>\n",
       "      <td>419.50000</td>\n",
       "      <td>1.36000</td>\n",
       "      <td>136.39000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.43000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>561</th>\n",
       "      <td>SW948</td>\n",
       "      <td>IGFR_3</td>\n",
       "      <td>TKI</td>\n",
       "      <td>3.00</td>\n",
       "      <td>10.00</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>55.600630</td>\n",
       "      <td>0.898185</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>475.40000</td>\n",
       "      <td>5.09000</td>\n",
       "      <td>59.51000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.54000</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>562</th>\n",
       "      <td>Calu-6</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.008674</td>\n",
       "      <td>2.036327</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>563</th>\n",
       "      <td>DMS-114</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.030000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>86.600332</td>\n",
       "      <td>0.009147</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>6</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>564</th>\n",
       "      <td>NCI-H1703</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.030000</td>\n",
       "      <td>1.560636</td>\n",
       "      <td>40.239429</td>\n",
       "      <td>0.010825</td>\n",
       "      <td>3.520778</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>6</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>565</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.012553</td>\n",
       "      <td>0.738249</td>\n",
       "      <td>46.614659</td>\n",
       "      <td>0.071100</td>\n",
       "      <td>0.847674</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>566</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.027543</td>\n",
       "      <td>1.776919</td>\n",
       "      <td>24.934062</td>\n",
       "      <td>0.681900</td>\n",
       "      <td>0.824499</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>567</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.061508</td>\n",
       "      <td>1.557268</td>\n",
       "      <td>30.954901</td>\n",
       "      <td>0.292941</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>7</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>568</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.226772</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>14.393017</td>\n",
       "      <td>0.102683</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>569</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.009239</td>\n",
       "      <td>0.913719</td>\n",
       "      <td>47.184314</td>\n",
       "      <td>0.053413</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>570</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.023094</td>\n",
       "      <td>2.499894</td>\n",
       "      <td>19.615773</td>\n",
       "      <td>0.015526</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>571</th>\n",
       "      <td>CAL-148</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.037481</td>\n",
       "      <td>1.667628</td>\n",
       "      <td>1.948871</td>\n",
       "      <td>0.299793</td>\n",
       "      <td>2.594774</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>572</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.144849</td>\n",
       "      <td>8.520538</td>\n",
       "      <td>2.001125</td>\n",
       "      <td>0.366335</td>\n",
       "      <td>1.330318</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>573</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.047899</td>\n",
       "      <td>1.534272</td>\n",
       "      <td>19.367072</td>\n",
       "      <td>0.360436</td>\n",
       "      <td>1.135491</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>574</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.014409</td>\n",
       "      <td>1.635053</td>\n",
       "      <td>12.609150</td>\n",
       "      <td>0.220833</td>\n",
       "      <td>4.682714</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>575</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.133704</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>1.784826</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.255021</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>576</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.027308</td>\n",
       "      <td>1.995711</td>\n",
       "      <td>10.814830</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>5</td>\n",
       "      <td>1</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>577</th>\n",
       "      <td>M14</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.008121</td>\n",
       "      <td>1.726348</td>\n",
       "      <td>18.795695</td>\n",
       "      <td>0.323277</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>334.85592</td>\n",
       "      <td>0.64891</td>\n",
       "      <td>92.76332</td>\n",
       "      <td>3.068</td>\n",
       "      <td>2.597</td>\n",
       "      <td>23.849</td>\n",
       "      <td>0.63639</td>\n",
       "      <td>4</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>578</th>\n",
       "      <td>NCI-H1437</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>1.883506</td>\n",
       "      <td>1.111377</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.586859</td>\n",
       "      <td>0.502575</td>\n",
       "      <td>...</td>\n",
       "      <td>413.50000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>67.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>579</th>\n",
       "      <td>NCI-H358</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>81.800569</td>\n",
       "      <td>0.177915</td>\n",
       "      <td>1.154472</td>\n",
       "      <td>...</td>\n",
       "      <td>413.50000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>67.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>580</th>\n",
       "      <td>NCI-H522</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.044992</td>\n",
       "      <td>1.073158</td>\n",
       "      <td>24.381908</td>\n",
       "      <td>2.426437</td>\n",
       "      <td>3.010263</td>\n",
       "      <td>...</td>\n",
       "      <td>413.50000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>67.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>6</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>581</th>\n",
       "      <td>NCI-H1975</td>\n",
       "      <td>Doxorubicin</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.000532</td>\n",
       "      <td>9.578087</td>\n",
       "      <td>18.980000</td>\n",
       "      <td>0.025936</td>\n",
       "      <td>3.036439</td>\n",
       "      <td>...</td>\n",
       "      <td>413.50000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>67.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>582</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>Doxorubicin</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.036869</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>26.449266</td>\n",
       "      <td>0.019694</td>\n",
       "      <td>1.360498</td>\n",
       "      <td>...</td>\n",
       "      <td>413.50000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>67.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>583</th>\n",
       "      <td>NCI-H522</td>\n",
       "      <td>Doxorubicin</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>2.810921</td>\n",
       "      <td>0.699402</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.018043</td>\n",
       "      <td>0.964212</td>\n",
       "      <td>...</td>\n",
       "      <td>413.50000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>67.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>6</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>584</th>\n",
       "      <td>Calu-6</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.010586</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>50.198506</td>\n",
       "      <td>0.000300</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>585</th>\n",
       "      <td>NCI-H226</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.007981</td>\n",
       "      <td>1.095896</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>0.305495</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>586</th>\n",
       "      <td>NCI-H2291</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>1.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.045000</td>\n",
       "      <td>4.120380</td>\n",
       "      <td>55.993139</td>\n",
       "      <td>0.092044</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>587</th>\n",
       "      <td>NCI-H1437</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.30</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.027975</td>\n",
       "      <td>2.233297</td>\n",
       "      <td>1.872756</td>\n",
       "      <td>0.673266</td>\n",
       "      <td>0.533258</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>588</th>\n",
       "      <td>NCI-H1703</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.011412</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>21.194999</td>\n",
       "      <td>1.015539</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>6</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>589</th>\n",
       "      <td>NCI-H1793</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.019327</td>\n",
       "      <td>4.545505</td>\n",
       "      <td>15.161790</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>590</th>\n",
       "      <td>SW900</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.031058</td>\n",
       "      <td>0.786919</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>0.257680</td>\n",
       "      <td>...</td>\n",
       "      <td>778.90000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>133.87000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>57.000</td>\n",
       "      <td>0.20000</td>\n",
       "      <td>5</td>\n",
       "      <td>2</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>591 rows × 36 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      CELL_LINE     COMPOUND_A     COMPOUND_B  MAX_CONC_A  MAX_CONC_B  \\\n",
       "0        BT-549         ADAM17            AKT        1.00       75.00   \n",
       "1       CAL-148         ADAM17            AKT        1.00       75.00   \n",
       "2         HCC38         ADAM17            AKT        1.00       75.00   \n",
       "3         BT-20         ADAM17    BCL2_BCL2L1        1.00       75.00   \n",
       "4       HCC1143         ADAM17    BCL2_BCL2L1        1.00       75.00   \n",
       "5       HCC1937         ADAM17    BCL2_BCL2L1        1.00       75.00   \n",
       "6      Hs-578-T         ADAM17    BCL2_BCL2L1        1.00       75.00   \n",
       "7       DU-4475         ADAM17           FGFR        1.00       75.00   \n",
       "8       HCC1187         ADAM17           FGFR        1.00       75.00   \n",
       "9         HCC70         ADAM17           FGFR        1.00       75.00   \n",
       "10     Hs-578-T         ADAM17           FGFR        1.00       75.00   \n",
       "11       CAL-51         ADAM17        MAP2K_1        1.00       75.00   \n",
       "12      HCC1428         ADAM17        MAP2K_1        1.00       75.00   \n",
       "13   MDA-MB-157         ADAM17        MAP2K_1        1.00       75.00   \n",
       "14       BT-549         ADAM17         MTOR_1        1.00       75.00   \n",
       "15   MDA-MB-157         ADAM17         MTOR_1        1.00       75.00   \n",
       "16      MFM-223         ADAM17         MTOR_1        1.00       75.00   \n",
       "17       BT-549         ADAM17          PIK3C        1.00       75.00   \n",
       "18      DU-4475         ADAM17          PIK3C        1.00       75.00   \n",
       "19      HCC1187         ADAM17          PIK3C        1.00       75.00   \n",
       "20        HCC38         ADAM17          PIK3C        1.00       75.00   \n",
       "21       BT-549         ADAM17  PIK3CB_PIK3CD        1.00       75.00   \n",
       "22      CAL-120         ADAM17  PIK3CB_PIK3CD        1.00       75.00   \n",
       "23       CAL-51         ADAM17  PIK3CB_PIK3CD        1.00       75.00   \n",
       "24   MDA-MB-436         ADAM17  PIK3CB_PIK3CD        1.00       75.00   \n",
       "25         VCaP         ADAM17            AKT        1.00       10.00   \n",
       "26         T47D            AKT          AKT_1        1.00        1.00   \n",
       "27         A549            AKT      CSNK2A1_2        0.10        3.00   \n",
       "28    NCI-H2291            AKT      CSNK2A1_2        0.01        3.00   \n",
       "29     NCI-H358            AKT      CSNK2A1_2        0.10        3.00   \n",
       "..          ...            ...            ...         ...         ...   \n",
       "561       SW948         IGFR_3            TKI        3.00       10.00   \n",
       "562      Calu-6      CSNK2A1_2        TNFSF10        0.03        0.03   \n",
       "563     DMS-114      CSNK2A1_2        TNFSF10        0.03        0.03   \n",
       "564   NCI-H1703      CSNK2A1_2        TNFSF10        0.03        0.10   \n",
       "565     CAL-120            AKT     TNKS_PARP6        1.00        1.00   \n",
       "566     HCC1143            AKT     TNKS_PARP6        1.00        1.00   \n",
       "567       HCC70            AKT     TNKS_PARP6        1.00        1.00   \n",
       "568      BT-549           FGFR     TNKS_PARP6        1.00        1.00   \n",
       "569     CAL-120           FGFR     TNKS_PARP6        1.00        1.00   \n",
       "570    Hs-578-T           FGFR     TNKS_PARP6        1.00        1.00   \n",
       "571     CAL-148         MTOR_1     TNKS_PARP6        1.00        1.00   \n",
       "572      CAL-51         MTOR_1     TNKS_PARP6        1.00        1.00   \n",
       "573  MDA-MB-231         MTOR_1     TNKS_PARP6        1.00        1.00   \n",
       "574  MDA-MB-453         MTOR_1     TNKS_PARP6        1.00        1.00   \n",
       "575      CAL-51  PIK3CB_PIK3CD     TNKS_PARP6        1.00        1.00   \n",
       "576       HCC38  PIK3CB_PIK3CD     TNKS_PARP6        1.00        1.00   \n",
       "577         M14  PIK3CB_PIK3CD     TNKS_PARP6        1.00        1.00   \n",
       "578   NCI-H1437          ALK_2           TOP2        3.00        3.00   \n",
       "579    NCI-H358          ALK_2           TOP2        3.00        3.00   \n",
       "580    NCI-H522          ALK_2           TOP2        3.00        3.00   \n",
       "581   NCI-H1975    Doxorubicin           TOP2        3.00        0.10   \n",
       "582   NCI-H3122    Doxorubicin           TOP2        3.00        0.10   \n",
       "583    NCI-H522    Doxorubicin           TOP2        3.00        0.10   \n",
       "584      Calu-6         BCL2L1    Vinorelbine        0.03        3.00   \n",
       "585    NCI-H226         BCL2L1    Vinorelbine        0.03        3.00   \n",
       "586   NCI-H2291         BCL2L1    Vinorelbine        1.00        3.00   \n",
       "587   NCI-H1437         BCL2_2    Vinorelbine        0.30        3.00   \n",
       "588   NCI-H1703         BCL2_2    Vinorelbine        0.03        3.00   \n",
       "589   NCI-H1793         BCL2_2    Vinorelbine        0.10        3.00   \n",
       "590       SW900         BCL2_2    Vinorelbine        0.10        3.00   \n",
       "\n",
       "       IC50_A        H_A      Einf_A     IC50_B        H_B       ...         \\\n",
       "0    0.184408   1.737511   59.575233   1.000000   0.000000       ...          \n",
       "1    0.153391   1.754123    1.100779   1.000000   0.000000       ...          \n",
       "2    1.000000  10.000000   64.400080   1.000000   0.000000       ...          \n",
       "3    1.000000   1.161732   39.164587  75.000000   0.965792       ...          \n",
       "4    0.115309  10.000000   57.198795   0.007500   0.100000       ...          \n",
       "5    1.000000   0.680025   44.776852   1.460265   0.845486       ...          \n",
       "6    0.113821   1.839558   62.844488   1.188576   0.208082       ...          \n",
       "7    0.100524   0.748234   82.593193  21.936964   2.163361       ...          \n",
       "8    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "9    1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "10   1.000000   0.454884   60.478423   0.010179   8.227252       ...          \n",
       "11   0.264716  10.000000   91.899118   1.000000   0.000000       ...          \n",
       "12   1.000000   0.000000  100.000000   1.000000   0.000000       ...          \n",
       "13   0.389677   0.393738   27.511524  75.000000   0.185138       ...          \n",
       "14   0.282911   1.614275   26.672166   1.000000   0.000000       ...          \n",
       "15   0.178030   2.329253   56.437305   1.000000   0.000000       ...          \n",
       "16   0.254188   3.350424   30.904531  75.000000  10.000000       ...          \n",
       "17   0.314091   4.159118   39.212207   1.000000   0.000000       ...          \n",
       "18   0.220609   1.166296    0.000000  14.925592   1.490348       ...          \n",
       "19   0.214018   2.750589   25.350196   1.000000   0.000000       ...          \n",
       "20   0.308287  10.000000   77.099773   1.000000   0.000000       ...          \n",
       "21   0.566041   0.449959    0.000000   0.007500   0.100000       ...          \n",
       "22   0.152699   3.681096   67.937059   1.000000   0.000000       ...          \n",
       "23   1.000000   0.692489   71.965455  23.613717  10.000000       ...          \n",
       "24   0.286175   1.094505   63.131769   1.000000   0.000000       ...          \n",
       "25   0.662229   1.024604    0.000000   3.109986   1.213795       ...          \n",
       "26   0.025096   1.827829   47.520389   0.110554  10.000000       ...          \n",
       "27   0.016795   5.049375    7.600040   3.000000   0.588220       ...          \n",
       "28   0.002230   1.010918   11.736906   1.344380   1.344337       ...          \n",
       "29   0.010717   3.400062   15.912958   2.130671   0.799633       ...          \n",
       "..        ...        ...         ...        ...        ...       ...          \n",
       "561  3.000000  10.000000   55.600630   0.898185  10.000000       ...          \n",
       "562  1.000000   0.000000  100.000000   0.008674   2.036327       ...          \n",
       "563  0.030000  10.000000   86.600332   0.009147  10.000000       ...          \n",
       "564  0.030000   1.560636   40.239429   0.010825   3.520778       ...          \n",
       "565  0.012553   0.738249   46.614659   0.071100   0.847674       ...          \n",
       "566  0.027543   1.776919   24.934062   0.681900   0.824499       ...          \n",
       "567  0.061508   1.557268   30.954901   0.292941  10.000000       ...          \n",
       "568  0.226772  10.000000   14.393017   0.102683  10.000000       ...          \n",
       "569  0.009239   0.913719   47.184314   0.053413  10.000000       ...          \n",
       "570  0.023094   2.499894   19.615773   0.015526  10.000000       ...          \n",
       "571  0.037481   1.667628    1.948871   0.299793   2.594774       ...          \n",
       "572  0.144849   8.520538    2.001125   0.366335   1.330318       ...          \n",
       "573  0.047899   1.534272   19.367072   0.360436   1.135491       ...          \n",
       "574  0.014409   1.635053   12.609150   0.220833   4.682714       ...          \n",
       "575  0.133704  10.000000    1.784826   1.000000   0.255021       ...          \n",
       "576  0.027308   1.995711   10.814830   1.000000  10.000000       ...          \n",
       "577  0.008121   1.726348   18.795695   0.323277  10.000000       ...          \n",
       "578  1.883506   1.111377    0.000000   0.586859   0.502575       ...          \n",
       "579  3.000000  10.000000   81.800569   0.177915   1.154472       ...          \n",
       "580  2.044992   1.073158   24.381908   2.426437   3.010263       ...          \n",
       "581  0.000532   9.578087   18.980000   0.025936   3.036439       ...          \n",
       "582  0.036869  10.000000   26.449266   0.019694   1.360498       ...          \n",
       "583  2.810921   0.699402    0.000000   0.018043   0.964212       ...          \n",
       "584  0.010586  10.000000   50.198506   0.000300   0.100000       ...          \n",
       "585  0.007981   1.095896    0.000000   3.000000   0.305495       ...          \n",
       "586  0.045000   4.120380   55.993139   0.092044  10.000000       ...          \n",
       "587  0.027975   2.233297    1.872756   0.673266   0.533258       ...          \n",
       "588  0.011412  10.000000   21.194999   1.015539  10.000000       ...          \n",
       "589  0.019327   4.545505   15.161790   3.000000  10.000000       ...          \n",
       "590  0.031058   0.786919    0.000000   3.000000   0.257680       ...          \n",
       "\n",
       "          B_MW  B_ALogP/XLogP      B_PSA  B_#RotBonds  B_Arom Rings  \\\n",
       "0    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "1    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "2    428.90000        1.32000  120.16000        6.000         3.000   \n",
       "3    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "4    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "5    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "6    945.50000        5.36446  158.48754       11.564         2.847   \n",
       "7    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "8    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "9    463.60000        4.20000   91.51000        8.000         4.000   \n",
       "10   463.60000        4.20000   91.51000        8.000         4.000   \n",
       "11   457.70000        3.23000   88.41000        6.000         3.000   \n",
       "12   457.70000        3.23000   88.41000        6.000         3.000   \n",
       "13   457.70000        3.23000   88.41000        6.000         3.000   \n",
       "14   462.60000        3.10000   92.71000        4.000         3.000   \n",
       "15   462.60000        3.10000   92.71000        4.000         3.000   \n",
       "16   462.60000        3.10000   92.71000        4.000         3.000   \n",
       "17   513.60000        2.15000  144.17000        5.000         4.000   \n",
       "18   513.60000        2.15000  144.17000        5.000         4.000   \n",
       "19   513.60000        2.15000  144.17000        5.000         4.000   \n",
       "20   513.60000        2.15000  144.17000        5.000         4.000   \n",
       "21   457.50000        1.43671   99.50709        4.289         2.737   \n",
       "22   457.50000        1.43671   99.50709        4.289         2.737   \n",
       "23   457.50000        1.43671   99.50709        4.289         2.737   \n",
       "24   457.50000        1.43671   99.50709        4.289         2.737   \n",
       "25   428.90000        1.32000  120.16000        6.000         3.000   \n",
       "26   407.50000        3.42000   83.60000        3.000         3.000   \n",
       "27   419.50000        1.36000  136.39000        8.000         3.000   \n",
       "28   419.50000        1.36000  136.39000        8.000         3.000   \n",
       "29   419.50000        1.36000  136.39000        8.000         3.000   \n",
       "..         ...            ...        ...          ...           ...   \n",
       "561  475.40000        5.09000   59.51000        6.000         3.000   \n",
       "562  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "563  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "564  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "565  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "566  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "567  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "568  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "569  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "570  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "571  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "572  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "573  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "574  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "575  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "576  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "577  334.85592        0.64891   92.76332        3.068         2.597   \n",
       "578  413.50000        5.40000   67.00000        2.000         4.000   \n",
       "579  413.50000        5.40000   67.00000        2.000         4.000   \n",
       "580  413.50000        5.40000   67.00000        2.000         4.000   \n",
       "581  413.50000        5.40000   67.00000        2.000         4.000   \n",
       "582  413.50000        5.40000   67.00000        2.000         4.000   \n",
       "583  413.50000        5.40000   67.00000        2.000         4.000   \n",
       "584  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "585  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "586  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "587  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "588  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "589  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "590  778.90000        5.40000  133.87000       10.000         3.000   \n",
       "\n",
       "     B_Heavy atoms    B_QED  GEX_CLUSTER  ORIGIN_CLUSTER  THERAPY_CLUSTER  \n",
       "0           30.000  0.57000            1               1                1  \n",
       "1           30.000  0.57000            2               1                3  \n",
       "2           30.000  0.57000            5               1                1  \n",
       "3           60.555  0.19713            7               1                3  \n",
       "4           60.555  0.19713            0               1                1  \n",
       "5           60.555  0.19713            7               1                3  \n",
       "6           60.555  0.19713            1               1                1  \n",
       "7           34.000  0.46000            3               1                0  \n",
       "8           34.000  0.46000            7               1                1  \n",
       "9           34.000  0.46000            7               1                1  \n",
       "10          34.000  0.46000            1               1                1  \n",
       "11          27.000  0.39000            5               1                1  \n",
       "12          27.000  0.39000            2               1                1  \n",
       "13          27.000  0.39000            5               1                3  \n",
       "14          32.000  0.63000            1               1                3  \n",
       "15          32.000  0.63000            5               1                1  \n",
       "16          32.000  0.63000            2               1                3  \n",
       "17          35.000  0.43000            1               1                3  \n",
       "18          35.000  0.43000            3               1                3  \n",
       "19          35.000  0.43000            7               1                3  \n",
       "20          35.000  0.43000            5               1                1  \n",
       "21          30.490  0.62948            1               1                3  \n",
       "22          30.490  0.62948            1               1                1  \n",
       "23          30.490  0.62948            5               1                1  \n",
       "24          30.490  0.62948            1               1                1  \n",
       "25          30.000  0.57000            2               3                3  \n",
       "26          31.000  0.70000            2               1                0  \n",
       "27          31.000  0.43000            5               2                3  \n",
       "28          31.000  0.43000            5               2                3  \n",
       "29          31.000  0.43000            5               2                2  \n",
       "..             ...      ...          ...             ...              ...  \n",
       "561         30.000  0.54000            3               0                1  \n",
       "562         23.849  0.63639            5               2                0  \n",
       "563         23.849  0.63639            6               2                0  \n",
       "564         23.849  0.63639            6               2                2  \n",
       "565         23.849  0.63639            1               1                3  \n",
       "566         23.849  0.63639            0               1                3  \n",
       "567         23.849  0.63639            7               1                2  \n",
       "568         23.849  0.63639            1               1                3  \n",
       "569         23.849  0.63639            1               1                3  \n",
       "570         23.849  0.63639            1               1                3  \n",
       "571         23.849  0.63639            2               1                3  \n",
       "572         23.849  0.63639            5               1                2  \n",
       "573         23.849  0.63639            1               1                2  \n",
       "574         23.849  0.63639            2               1                2  \n",
       "575         23.849  0.63639            5               1                3  \n",
       "576         23.849  0.63639            5               1                3  \n",
       "577         23.849  0.63639            4               0                2  \n",
       "578         30.000  0.44000            5               2                2  \n",
       "579         30.000  0.44000            5               2                0  \n",
       "580         30.000  0.44000            6               2                2  \n",
       "581         30.000  0.44000            5               2                2  \n",
       "582         30.000  0.44000            5               2                2  \n",
       "583         30.000  0.44000            6               2                2  \n",
       "584         57.000  0.20000            5               2                3  \n",
       "585         57.000  0.20000            1               2                2  \n",
       "586         57.000  0.20000            5               2                0  \n",
       "587         57.000  0.20000            5               2                3  \n",
       "588         57.000  0.20000            6               2                3  \n",
       "589         57.000  0.20000            5               2                3  \n",
       "590         57.000  0.20000            5               2                3  \n",
       "\n",
       "[591 rows x 36 columns]"
      ]
     },
     "execution_count": 242,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "base_df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 434,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "sub_Xpd = base_df #pd.get_dummies(base_df, columns=['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B']) \n",
    "value_convert(sub_Xpd, ['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B'])\n",
    "sub_Xvals = sub_Xpd.values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 460,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "sub_pred = gbr.predict(sub_Xvals)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 462,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>COMBINATION_ID</th>\n",
       "      <th>PREDICTION</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\n",
       "      <td>ADAM17.AKT</td>\n",
       "      <td>11.672478</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-148</th>\n",
       "      <td>ADAM17.AKT</td>\n",
       "      <td>12.458830</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC38</th>\n",
       "      <td>ADAM17.AKT</td>\n",
       "      <td>6.234641</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-20</th>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "      <td>20.383637</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1143</th>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "      <td>10.667504</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1937</th>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "      <td>15.014714</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Hs-578-T</th>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "      <td>16.070129</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DU-4475</th>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "      <td>21.157558</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1187</th>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "      <td>-9.959805</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "      <td>-18.168467</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Hs-578-T</th>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "      <td>11.619578</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-51</th>\n",
       "      <td>ADAM17.MAP2K_1</td>\n",
       "      <td>-1.798066</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1428</th>\n",
       "      <td>ADAM17.MAP2K_1</td>\n",
       "      <td>-19.149735</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-157</th>\n",
       "      <td>ADAM17.MAP2K_1</td>\n",
       "      <td>13.094643</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\n",
       "      <td>ADAM17.MTOR_1</td>\n",
       "      <td>13.820696</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-157</th>\n",
       "      <td>ADAM17.MTOR_1</td>\n",
       "      <td>1.455797</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MFM-223</th>\n",
       "      <td>ADAM17.MTOR_1</td>\n",
       "      <td>1.085171</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\n",
       "      <td>ADAM17.PIK3C</td>\n",
       "      <td>20.914689</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DU-4475</th>\n",
       "      <td>ADAM17.PIK3C</td>\n",
       "      <td>24.232086</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1187</th>\n",
       "      <td>ADAM17.PIK3C</td>\n",
       "      <td>18.322760</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC38</th>\n",
       "      <td>ADAM17.PIK3C</td>\n",
       "      <td>12.805850</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\n",
       "      <td>ADAM17.PIK3CB_PIK3CD</td>\n",
       "      <td>2.837667</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-120</th>\n",
       "      <td>ADAM17.PIK3CB_PIK3CD</td>\n",
       "      <td>5.110017</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-51</th>\n",
       "      <td>ADAM17.PIK3CB_PIK3CD</td>\n",
       "      <td>0.083833</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-436</th>\n",
       "      <td>ADAM17.PIK3CB_PIK3CD</td>\n",
       "      <td>6.587485</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>VCaP</th>\n",
       "      <td>ADAM17.AKT</td>\n",
       "      <td>17.196446</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>T47D</th>\n",
       "      <td>AKT.AKT_1</td>\n",
       "      <td>-1.867259</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>A549</th>\n",
       "      <td>AKT.CSNK2A1_2</td>\n",
       "      <td>17.718910</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2291</th>\n",
       "      <td>AKT.CSNK2A1_2</td>\n",
       "      <td>26.036504</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H358</th>\n",
       "      <td>AKT.CSNK2A1_2</td>\n",
       "      <td>20.064782</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW948</th>\n",
       "      <td>IGFR_3.TKI</td>\n",
       "      <td>-3.561021</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Calu-6</th>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "      <td>0.291318</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DMS-114</th>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "      <td>-6.945177</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1703</th>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "      <td>10.184277</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-120</th>\n",
       "      <td>AKT.TNKS_PARP6</td>\n",
       "      <td>13.749252</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1143</th>\n",
       "      <td>AKT.TNKS_PARP6</td>\n",
       "      <td>17.236056</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\n",
       "      <td>AKT.TNKS_PARP6</td>\n",
       "      <td>7.681589</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\n",
       "      <td>FGFR.TNKS_PARP6</td>\n",
       "      <td>-1.493675</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-120</th>\n",
       "      <td>FGFR.TNKS_PARP6</td>\n",
       "      <td>7.257655</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Hs-578-T</th>\n",
       "      <td>FGFR.TNKS_PARP6</td>\n",
       "      <td>11.040720</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-148</th>\n",
       "      <td>MTOR_1.TNKS_PARP6</td>\n",
       "      <td>17.153241</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-51</th>\n",
       "      <td>MTOR_1.TNKS_PARP6</td>\n",
       "      <td>1.774113</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-231</th>\n",
       "      <td>MTOR_1.TNKS_PARP6</td>\n",
       "      <td>16.537215</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-453</th>\n",
       "      <td>MTOR_1.TNKS_PARP6</td>\n",
       "      <td>3.087936</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-51</th>\n",
       "      <td>PIK3CB_PIK3CD.TNKS_PARP6</td>\n",
       "      <td>2.296793</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC38</th>\n",
       "      <td>PIK3CB_PIK3CD.TNKS_PARP6</td>\n",
       "      <td>2.144769</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>M14</th>\n",
       "      <td>PIK3CB_PIK3CD.TNKS_PARP6</td>\n",
       "      <td>-0.654959</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1437</th>\n",
       "      <td>ALK_2.TOP2</td>\n",
       "      <td>16.529764</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H358</th>\n",
       "      <td>ALK_2.TOP2</td>\n",
       "      <td>12.833811</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H522</th>\n",
       "      <td>ALK_2.TOP2</td>\n",
       "      <td>11.794779</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1975</th>\n",
       "      <td>Doxorubicin.TOP2</td>\n",
       "      <td>9.381031</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H3122</th>\n",
       "      <td>Doxorubicin.TOP2</td>\n",
       "      <td>23.598185</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H522</th>\n",
       "      <td>Doxorubicin.TOP2</td>\n",
       "      <td>19.309978</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Calu-6</th>\n",
       "      <td>BCL2L1.Vinorelbine</td>\n",
       "      <td>9.864967</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H226</th>\n",
       "      <td>BCL2L1.Vinorelbine</td>\n",
       "      <td>12.972347</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2291</th>\n",
       "      <td>BCL2L1.Vinorelbine</td>\n",
       "      <td>-5.551386</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1437</th>\n",
       "      <td>BCL2_2.Vinorelbine</td>\n",
       "      <td>14.418180</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1703</th>\n",
       "      <td>BCL2_2.Vinorelbine</td>\n",
       "      <td>-6.728041</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1793</th>\n",
       "      <td>BCL2_2.Vinorelbine</td>\n",
       "      <td>-10.303662</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW900</th>\n",
       "      <td>BCL2_2.Vinorelbine</td>\n",
       "      <td>5.566403</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>591 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                      COMBINATION_ID  PREDICTION\n",
       "CELL_LINE                                       \n",
       "BT-549                    ADAM17.AKT   11.672478\n",
       "CAL-148                   ADAM17.AKT   12.458830\n",
       "HCC38                     ADAM17.AKT    6.234641\n",
       "BT-20             ADAM17.BCL2_BCL2L1   20.383637\n",
       "HCC1143           ADAM17.BCL2_BCL2L1   10.667504\n",
       "HCC1937           ADAM17.BCL2_BCL2L1   15.014714\n",
       "Hs-578-T          ADAM17.BCL2_BCL2L1   16.070129\n",
       "DU-4475                  ADAM17.FGFR   21.157558\n",
       "HCC1187                  ADAM17.FGFR   -9.959805\n",
       "HCC70                    ADAM17.FGFR  -18.168467\n",
       "Hs-578-T                 ADAM17.FGFR   11.619578\n",
       "CAL-51                ADAM17.MAP2K_1   -1.798066\n",
       "HCC1428               ADAM17.MAP2K_1  -19.149735\n",
       "MDA-MB-157            ADAM17.MAP2K_1   13.094643\n",
       "BT-549                 ADAM17.MTOR_1   13.820696\n",
       "MDA-MB-157             ADAM17.MTOR_1    1.455797\n",
       "MFM-223                ADAM17.MTOR_1    1.085171\n",
       "BT-549                  ADAM17.PIK3C   20.914689\n",
       "DU-4475                 ADAM17.PIK3C   24.232086\n",
       "HCC1187                 ADAM17.PIK3C   18.322760\n",
       "HCC38                   ADAM17.PIK3C   12.805850\n",
       "BT-549          ADAM17.PIK3CB_PIK3CD    2.837667\n",
       "CAL-120         ADAM17.PIK3CB_PIK3CD    5.110017\n",
       "CAL-51          ADAM17.PIK3CB_PIK3CD    0.083833\n",
       "MDA-MB-436      ADAM17.PIK3CB_PIK3CD    6.587485\n",
       "VCaP                      ADAM17.AKT   17.196446\n",
       "T47D                       AKT.AKT_1   -1.867259\n",
       "A549                   AKT.CSNK2A1_2   17.718910\n",
       "NCI-H2291              AKT.CSNK2A1_2   26.036504\n",
       "NCI-H358               AKT.CSNK2A1_2   20.064782\n",
       "...                              ...         ...\n",
       "SW948                     IGFR_3.TKI   -3.561021\n",
       "Calu-6             CSNK2A1_2.TNFSF10    0.291318\n",
       "DMS-114            CSNK2A1_2.TNFSF10   -6.945177\n",
       "NCI-H1703          CSNK2A1_2.TNFSF10   10.184277\n",
       "CAL-120               AKT.TNKS_PARP6   13.749252\n",
       "HCC1143               AKT.TNKS_PARP6   17.236056\n",
       "HCC70                 AKT.TNKS_PARP6    7.681589\n",
       "BT-549               FGFR.TNKS_PARP6   -1.493675\n",
       "CAL-120              FGFR.TNKS_PARP6    7.257655\n",
       "Hs-578-T             FGFR.TNKS_PARP6   11.040720\n",
       "CAL-148            MTOR_1.TNKS_PARP6   17.153241\n",
       "CAL-51             MTOR_1.TNKS_PARP6    1.774113\n",
       "MDA-MB-231         MTOR_1.TNKS_PARP6   16.537215\n",
       "MDA-MB-453         MTOR_1.TNKS_PARP6    3.087936\n",
       "CAL-51      PIK3CB_PIK3CD.TNKS_PARP6    2.296793\n",
       "HCC38       PIK3CB_PIK3CD.TNKS_PARP6    2.144769\n",
       "M14         PIK3CB_PIK3CD.TNKS_PARP6   -0.654959\n",
       "NCI-H1437                 ALK_2.TOP2   16.529764\n",
       "NCI-H358                  ALK_2.TOP2   12.833811\n",
       "NCI-H522                  ALK_2.TOP2   11.794779\n",
       "NCI-H1975           Doxorubicin.TOP2    9.381031\n",
       "NCI-H3122           Doxorubicin.TOP2   23.598185\n",
       "NCI-H522            Doxorubicin.TOP2   19.309978\n",
       "Calu-6            BCL2L1.Vinorelbine    9.864967\n",
       "NCI-H226          BCL2L1.Vinorelbine   12.972347\n",
       "NCI-H2291         BCL2L1.Vinorelbine   -5.551386\n",
       "NCI-H1437         BCL2_2.Vinorelbine   14.418180\n",
       "NCI-H1703         BCL2_2.Vinorelbine   -6.728041\n",
       "NCI-H1793         BCL2_2.Vinorelbine  -10.303662\n",
       "SW900             BCL2_2.Vinorelbine    5.566403\n",
       "\n",
       "[591 rows x 2 columns]"
      ]
     },
     "execution_count": 462,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pred_cv = pd.DataFrame.from_csv('Submission/prediction.csv', header=0)\n",
    "pred_cv['PREDICTION'] = sub_pred\n",
    "pred_cv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 463,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "pred_cv.to_csv('Submission/prediction.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 336,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CONFIDENCE</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>COMBINATION_ID</th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>ADAM17.AKT</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.BCL2_BCL2L1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.FGFR</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.MAP2K_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.MTOR_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.PIK3C</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.PIK3CB_PIK3CD</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.AKT_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.CSNK2A1_2</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.Chloroquine</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.FGFR</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.HDAC_4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.PIK3CA_4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.PIK3C_2</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.TNF</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.PIK3C</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.PIK3CB_PIK3CD</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.PIK3C_2</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.BCL2_BCL2L1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.FGFR</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.MAP2K_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.PIK3C</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.ALK_IGFR</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.ALK_IGFR</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR.MTOR_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR.PIK3CB_PIK3CD</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.ATR_4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4.BCL2_BCL2L1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4.MAP2K_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4.MTOR_1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HSP90.PIK3C</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C.PIM1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C.TNFSF10</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CSNK2A1_2.PIK3CA_3</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_1.PIK3CA_4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_2.PIK3CA_4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_2.PIK3CB</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB.Topotecan</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>EG5.PIK3CB_PIK3CD</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1.PIM1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIM1.TOP2_2</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.PIP5K1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K_1.PIP5K1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C.PIP5K1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB_PIK3CD.PIP5K1</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1.SLC16A4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR.SLC16A4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K_1.SLC16A4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_1.SLC16A4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB_PIK3CD.SLC16A4</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IGFR_3.TKI</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CSNK2A1_2.TNFSF10</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.TNKS_PARP6</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR.TNKS_PARP6</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_1.TNKS_PARP6</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB_PIK3CD.TNKS_PARP6</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_2.TOP2</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Doxorubicin.TOP2</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2L1.Vinorelbine</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_2.Vinorelbine</th>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>167 rows × 1 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                          CONFIDENCE\n",
       "COMBINATION_ID                      \n",
       "ADAM17.AKT                         0\n",
       "ADAM17.BCL2_BCL2L1                 0\n",
       "ADAM17.FGFR                        0\n",
       "ADAM17.MAP2K_1                     0\n",
       "ADAM17.MTOR_1                      0\n",
       "ADAM17.PIK3C                       0\n",
       "ADAM17.PIK3CB_PIK3CD               0\n",
       "AKT.AKT_1                          0\n",
       "AKT.CSNK2A1_2                      0\n",
       "AKT.Chloroquine                    0\n",
       "AKT.FGFR                           0\n",
       "AKT.HDAC_4                         0\n",
       "AKT.PIK3CA_4                       0\n",
       "AKT.PIK3C_2                        0\n",
       "AKT.TNF                            0\n",
       "AKT_1.PIK3C                        0\n",
       "AKT_1.PIK3CB_PIK3CD                0\n",
       "AKT_1.PIK3C_2                      0\n",
       "AKT_SGK.BCL2_BCL2L1                0\n",
       "AKT_SGK.FGFR                       0\n",
       "AKT_SGK.MAP2K_1                    0\n",
       "AKT_SGK.PIK3C                      0\n",
       "AKT.ALK_IGFR                       0\n",
       "AKT_1.ALK_IGFR                     0\n",
       "ALK_IGFR.MTOR_1                    0\n",
       "ALK_IGFR.PIK3CB_PIK3CD             0\n",
       "AKT.ATR_4                          0\n",
       "ATR_4.BCL2_BCL2L1                  0\n",
       "ATR_4.MAP2K_1                      0\n",
       "ATR_4.MTOR_1                       0\n",
       "...                              ...\n",
       "HSP90.PIK3C                        0\n",
       "PIK3C.PIM1                         0\n",
       "PIK3C.TNFSF10                      0\n",
       "CSNK2A1_2.PIK3CA_3                 0\n",
       "MTOR_1.PIK3CA_4                    0\n",
       "PIK3C_2.PIK3CA_4                   0\n",
       "ALK_2.PIK3CB                       0\n",
       "PIK3CB.Topotecan                   0\n",
       "EG5.PIK3CB_PIK3CD                  0\n",
       "BCL2_BCL2L1.PIM1                   0\n",
       "PIM1.TOP2_2                        0\n",
       "AKT.PIP5K1                         0\n",
       "MAP2K_1.PIP5K1                     0\n",
       "PIK3C.PIP5K1                       0\n",
       "PIK3CB_PIK3CD.PIP5K1               0\n",
       "BCL2_BCL2L1.SLC16A4                0\n",
       "FGFR.SLC16A4                       0\n",
       "MAP2K_1.SLC16A4                    0\n",
       "MTOR_1.SLC16A4                     0\n",
       "PIK3CB_PIK3CD.SLC16A4              0\n",
       "IGFR_3.TKI                         0\n",
       "CSNK2A1_2.TNFSF10                  0\n",
       "AKT.TNKS_PARP6                     0\n",
       "FGFR.TNKS_PARP6                    0\n",
       "MTOR_1.TNKS_PARP6                  0\n",
       "PIK3CB_PIK3CD.TNKS_PARP6           0\n",
       "ALK_2.TOP2                         0\n",
       "Doxorubicin.TOP2                   0\n",
       "BCL2L1.Vinorelbine                 0\n",
       "BCL2_2.Vinorelbine                 0\n",
       "\n",
       "[167 rows x 1 columns]"
      ]
     },
     "execution_count": 336,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "orig_data = pd.DataFrame.from_csv('Clean_data/train.csv', header=0)\n",
    "combos = pd.DataFrame.from_csv(\"Submission/combination_priority.csv\", header=0)\n",
    "combos"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 351,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "for index, row in combos.iterrows():\n",
    "    orig_rows = orig_data.loc[orig_data['COMBINATION_ID'] == index]\n",
    "    syns = orig_rows['SYNERGY_SCORE']\n",
    "    mean = np.mean(syns)\n",
    "    if np.isnan(mean):\n",
    "        mean = 0\n",
    "    combos.ix[index,'CONFIDENCE']=mean\n",
    "    #combos.set_value(index, 'CONFIDENCE', mean)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 357,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def rescale(values):\n",
    "    vmin = np.zeros(values.shape[0])\n",
    "    vmin.fill(np.amin(values))\n",
    "    vmax = np.zeros(values.shape[0])\n",
    "    vmax.fill(np.amax(values))\n",
    "    values = (values - vmin) / (vmax - vmin)\n",
    "    return values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 368,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "combos['CONFIDENCE'] = rescale(combos['CONFIDENCE'].values)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 369,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CONFIDENCE</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>COMBINATION_ID</th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>ADAM17.AKT</th>\n",
       "      <td>0.429401</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.BCL2_BCL2L1</th>\n",
       "      <td>0.342756</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.FGFR</th>\n",
       "      <td>0.303217</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.MAP2K_1</th>\n",
       "      <td>0.329168</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.MTOR_1</th>\n",
       "      <td>0.471273</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.PIK3C</th>\n",
       "      <td>0.502437</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ADAM17.PIK3CB_PIK3CD</th>\n",
       "      <td>0.454046</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.AKT_1</th>\n",
       "      <td>0.395988</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.CSNK2A1_2</th>\n",
       "      <td>0.656817</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.Chloroquine</th>\n",
       "      <td>0.390314</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.FGFR</th>\n",
       "      <td>0.222746</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.HDAC_4</th>\n",
       "      <td>0.254472</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.PIK3CA_4</th>\n",
       "      <td>0.426306</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.PIK3C_2</th>\n",
       "      <td>0.367184</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.TNF</th>\n",
       "      <td>0.525879</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.PIK3C</th>\n",
       "      <td>0.751057</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.PIK3CB_PIK3CD</th>\n",
       "      <td>0.653448</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.PIK3C_2</th>\n",
       "      <td>0.528022</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.BCL2_BCL2L1</th>\n",
       "      <td>0.485931</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.FGFR</th>\n",
       "      <td>0.385781</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.MAP2K_1</th>\n",
       "      <td>0.536036</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK.PIK3C</th>\n",
       "      <td>0.480641</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.ALK_IGFR</th>\n",
       "      <td>0.561070</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1.ALK_IGFR</th>\n",
       "      <td>0.410594</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR.MTOR_1</th>\n",
       "      <td>0.541963</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR.PIK3CB_PIK3CD</th>\n",
       "      <td>0.647681</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.ATR_4</th>\n",
       "      <td>0.263330</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4.BCL2_BCL2L1</th>\n",
       "      <td>0.397687</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4.MAP2K_1</th>\n",
       "      <td>0.254875</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4.MTOR_1</th>\n",
       "      <td>0.081225</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HSP90.PIK3C</th>\n",
       "      <td>0.291136</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C.PIM1</th>\n",
       "      <td>0.440831</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C.TNFSF10</th>\n",
       "      <td>0.161248</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CSNK2A1_2.PIK3CA_3</th>\n",
       "      <td>0.511031</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_1.PIK3CA_4</th>\n",
       "      <td>0.457789</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_2.PIK3CA_4</th>\n",
       "      <td>0.408246</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_2.PIK3CB</th>\n",
       "      <td>0.673339</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB.Topotecan</th>\n",
       "      <td>0.448587</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>EG5.PIK3CB_PIK3CD</th>\n",
       "      <td>0.308509</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1.PIM1</th>\n",
       "      <td>0.622784</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIM1.TOP2_2</th>\n",
       "      <td>0.716729</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.PIP5K1</th>\n",
       "      <td>0.386744</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K_1.PIP5K1</th>\n",
       "      <td>0.332327</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C.PIP5K1</th>\n",
       "      <td>0.175026</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB_PIK3CD.PIP5K1</th>\n",
       "      <td>0.233065</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1.SLC16A4</th>\n",
       "      <td>0.525593</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR.SLC16A4</th>\n",
       "      <td>0.331412</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K_1.SLC16A4</th>\n",
       "      <td>0.486947</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_1.SLC16A4</th>\n",
       "      <td>0.302309</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB_PIK3CD.SLC16A4</th>\n",
       "      <td>0.398647</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IGFR_3.TKI</th>\n",
       "      <td>0.403230</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CSNK2A1_2.TNFSF10</th>\n",
       "      <td>0.416201</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT.TNKS_PARP6</th>\n",
       "      <td>0.535625</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR.TNKS_PARP6</th>\n",
       "      <td>0.399572</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_1.TNKS_PARP6</th>\n",
       "      <td>0.454156</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB_PIK3CD.TNKS_PARP6</th>\n",
       "      <td>0.503506</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_2.TOP2</th>\n",
       "      <td>0.536447</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Doxorubicin.TOP2</th>\n",
       "      <td>0.608108</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2L1.Vinorelbine</th>\n",
       "      <td>0.414403</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_2.Vinorelbine</th>\n",
       "      <td>0.164958</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>167 rows × 1 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                          CONFIDENCE\n",
       "COMBINATION_ID                      \n",
       "ADAM17.AKT                  0.429401\n",
       "ADAM17.BCL2_BCL2L1          0.342756\n",
       "ADAM17.FGFR                 0.303217\n",
       "ADAM17.MAP2K_1              0.329168\n",
       "ADAM17.MTOR_1               0.471273\n",
       "ADAM17.PIK3C                0.502437\n",
       "ADAM17.PIK3CB_PIK3CD        0.454046\n",
       "AKT.AKT_1                   0.395988\n",
       "AKT.CSNK2A1_2               0.656817\n",
       "AKT.Chloroquine             0.390314\n",
       "AKT.FGFR                    0.222746\n",
       "AKT.HDAC_4                  0.254472\n",
       "AKT.PIK3CA_4                0.426306\n",
       "AKT.PIK3C_2                 0.367184\n",
       "AKT.TNF                     0.525879\n",
       "AKT_1.PIK3C                 0.751057\n",
       "AKT_1.PIK3CB_PIK3CD         0.653448\n",
       "AKT_1.PIK3C_2               0.528022\n",
       "AKT_SGK.BCL2_BCL2L1         0.485931\n",
       "AKT_SGK.FGFR                0.385781\n",
       "AKT_SGK.MAP2K_1             0.536036\n",
       "AKT_SGK.PIK3C               0.480641\n",
       "AKT.ALK_IGFR                0.561070\n",
       "AKT_1.ALK_IGFR              0.410594\n",
       "ALK_IGFR.MTOR_1             0.541963\n",
       "ALK_IGFR.PIK3CB_PIK3CD      0.647681\n",
       "AKT.ATR_4                   0.263330\n",
       "ATR_4.BCL2_BCL2L1           0.397687\n",
       "ATR_4.MAP2K_1               0.254875\n",
       "ATR_4.MTOR_1                0.081225\n",
       "...                              ...\n",
       "HSP90.PIK3C                 0.291136\n",
       "PIK3C.PIM1                  0.440831\n",
       "PIK3C.TNFSF10               0.161248\n",
       "CSNK2A1_2.PIK3CA_3          0.511031\n",
       "MTOR_1.PIK3CA_4             0.457789\n",
       "PIK3C_2.PIK3CA_4            0.408246\n",
       "ALK_2.PIK3CB                0.673339\n",
       "PIK3CB.Topotecan            0.448587\n",
       "EG5.PIK3CB_PIK3CD           0.308509\n",
       "BCL2_BCL2L1.PIM1            0.622784\n",
       "PIM1.TOP2_2                 0.716729\n",
       "AKT.PIP5K1                  0.386744\n",
       "MAP2K_1.PIP5K1              0.332327\n",
       "PIK3C.PIP5K1                0.175026\n",
       "PIK3CB_PIK3CD.PIP5K1        0.233065\n",
       "BCL2_BCL2L1.SLC16A4         0.525593\n",
       "FGFR.SLC16A4                0.331412\n",
       "MAP2K_1.SLC16A4             0.486947\n",
       "MTOR_1.SLC16A4              0.302309\n",
       "PIK3CB_PIK3CD.SLC16A4       0.398647\n",
       "IGFR_3.TKI                  0.403230\n",
       "CSNK2A1_2.TNFSF10           0.416201\n",
       "AKT.TNKS_PARP6              0.535625\n",
       "FGFR.TNKS_PARP6             0.399572\n",
       "MTOR_1.TNKS_PARP6           0.454156\n",
       "PIK3CB_PIK3CD.TNKS_PARP6    0.503506\n",
       "ALK_2.TOP2                  0.536447\n",
       "Doxorubicin.TOP2            0.608108\n",
       "BCL2L1.Vinorelbine          0.414403\n",
       "BCL2_2.Vinorelbine          0.164958\n",
       "\n",
       "[167 rows x 1 columns]"
      ]
     },
     "execution_count": 369,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "combos"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 370,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "combos.to_csv('Submission/combination_priority.csv')"
   ]
  }
 ],
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