feature_exp.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "orig_data = pd.DataFrame.from_csv('Clean_data/train2.csv', header=0)\n",
    "orig = orig_data.ix[:, :'SYNERGY_SCORE']\n",
    "drug_info = pd.DataFrame.from_csv('Drug_expanded/exp_imputed.csv', header=0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "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>HBA</th>\n",
       "      <th>cLogP</th>\n",
       "      <th>HBD</th>\n",
       "      <th>Lipinski</th>\n",
       "      <th>MW</th>\n",
       "      <th>ALogP/XLogP</th>\n",
       "      <th>PSA</th>\n",
       "      <th>#RotBonds</th>\n",
       "      <th>Arom Rings</th>\n",
       "      <th>Heavy atoms</th>\n",
       "      <th>QED</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>ALK_2</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_3</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_2</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_SGK</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IAP</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>IAP_2</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SLC16A4</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNKS_PARP6</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CA_2</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CA_3</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3CB</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIP5K1</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>WNT</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR4</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATM</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.28000</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000</td>\n",
       "      <td>547.70000</td>\n",
       "      <td>3.82000</td>\n",
       "      <td>105.63000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>39.000</td>\n",
       "      <td>0.60000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TOP2</th>\n",
       "      <td>4.000</td>\n",
       "      <td>5.44000</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PRKDC_2</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.39000</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000</td>\n",
       "      <td>582.70000</td>\n",
       "      <td>4.84000</td>\n",
       "      <td>102.58000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>42.000</td>\n",
       "      <td>0.35000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FGFR</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MET_ALK</th>\n",
       "      <td>6.000</td>\n",
       "      <td>4.29000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</td>\n",
       "      <td>450.30000</td>\n",
       "      <td>3.69000</td>\n",
       "      <td>77.99000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.58000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT</th>\n",
       "      <td>8.000</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AKT_1</th>\n",
       "      <td>6.000</td>\n",
       "      <td>3.24000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK</th>\n",
       "      <td>8.000</td>\n",
       "      <td>3.89000</td>\n",
       "      <td>2.00</td>\n",
       "      <td>1.000</td>\n",
       "      <td>532.10000</td>\n",
       "      <td>3.78208</td>\n",
       "      <td>90.07313</td>\n",
       "      <td>5.216</td>\n",
       "      <td>2.470</td>\n",
       "      <td>37.304</td>\n",
       "      <td>0.52116</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ALK_IGFR</th>\n",
       "      <td>7.000</td>\n",
       "      <td>4.08000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>0.000</td>\n",
       "      <td>449.00000</td>\n",
       "      <td>2.75692</td>\n",
       "      <td>97.43558</td>\n",
       "      <td>4.903</td>\n",
       "      <td>2.427</td>\n",
       "      <td>30.291</td>\n",
       "      <td>0.61224</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AR</th>\n",
       "      <td>6.000</td>\n",
       "      <td>3.35000</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.000</td>\n",
       "      <td>464.40000</td>\n",
       "      <td>3.02894</td>\n",
       "      <td>83.00293</td>\n",
       "      <td>4.414</td>\n",
       "      <td>2.643</td>\n",
       "      <td>31.003</td>\n",
       "      <td>0.62862</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_1</th>\n",
       "      <td>7.000</td>\n",
       "      <td>0.44000</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.000</td>\n",
       "      <td>398.50000</td>\n",
       "      <td>2.66000</td>\n",
       "      <td>96.56000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>28.000</td>\n",
       "      <td>0.73000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_2</th>\n",
       "      <td>7.000</td>\n",
       "      <td>0.96000</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.000</td>\n",
       "      <td>412.50000</td>\n",
       "      <td>3.04000</td>\n",
       "      <td>96.56000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>29.000</td>\n",
       "      <td>0.71000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATR_4</th>\n",
       "      <td>8.000</td>\n",
       "      <td>0.59000</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.000</td>\n",
       "      <td>412.50000</td>\n",
       "      <td>1.03667</td>\n",
       "      <td>101.15997</td>\n",
       "      <td>3.247</td>\n",
       "      <td>2.574</td>\n",
       "      <td>29.574</td>\n",
       "      <td>0.65759</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2</th>\n",
       "      <td>11.000</td>\n",
       "      <td>12.39000</td>\n",
       "      <td>2.00</td>\n",
       "      <td>3.000</td>\n",
       "      <td>974.60000</td>\n",
       "      <td>10.50000</td>\n",
       "      <td>170.42000</td>\n",
       "      <td>17.000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>65.000</td>\n",
       "      <td>0.10000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BCL2_BCL2L1</th>\n",
       "      <td>11.000</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NAE</th>\n",
       "      <td>8.000</td>\n",
       "      <td>2.58578</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.180</td>\n",
       "      <td>443.50000</td>\n",
       "      <td>1.70000</td>\n",
       "      <td>141.00000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.153</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.57066</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HSP90</th>\n",
       "      <td>5.000</td>\n",
       "      <td>2.26274</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.058</td>\n",
       "      <td>409.52000</td>\n",
       "      <td>3.10000</td>\n",
       "      <td>67.20000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.099</td>\n",
       "      <td>30.000</td>\n",
       "      <td>0.68058</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_MTOR</th>\n",
       "      <td>8.000</td>\n",
       "      <td>1.90345</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.030</td>\n",
       "      <td>425.50000</td>\n",
       "      <td>1.60000</td>\n",
       "      <td>124.00000</td>\n",
       "      <td>6.000</td>\n",
       "      <td>3.084</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.60263</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRAF_VEGFR2</th>\n",
       "      <td>11.000</td>\n",
       "      <td>4.55678</td>\n",
       "      <td>2.00</td>\n",
       "      <td>1.426</td>\n",
       "      <td>518.40000</td>\n",
       "      <td>5.40000</td>\n",
       "      <td>80.60000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>3.469</td>\n",
       "      <td>37.000</td>\n",
       "      <td>0.45619</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRAF_2</th>\n",
       "      <td>5.000</td>\n",
       "      <td>1.18986</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.022</td>\n",
       "      <td>334.10000</td>\n",
       "      <td>1.70000</td>\n",
       "      <td>83.50000</td>\n",
       "      <td>4.000</td>\n",
       "      <td>3.237</td>\n",
       "      <td>25.000</td>\n",
       "      <td>0.67529</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PIK3C_MTOR_2</th>\n",
       "      <td>10.000</td>\n",
       "      <td>4.29225</td>\n",
       "      <td>3.00</td>\n",
       "      <td>1.469</td>\n",
       "      <td>599.70000</td>\n",
       "      <td>5.10000</td>\n",
       "      <td>149.00000</td>\n",
       "      <td>10.000</td>\n",
       "      <td>3.377</td>\n",
       "      <td>43.000</td>\n",
       "      <td>0.37841</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BIRC5</th>\n",
       "      <td>6.000</td>\n",
       "      <td>2.66515</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0.113</td>\n",
       "      <td>443.30000</td>\n",
       "      <td>3.08664</td>\n",
       "      <td>78.00000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>3.483</td>\n",
       "      <td>28.000</td>\n",
       "      <td>0.63857</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNF</th>\n",
       "      <td>7.000</td>\n",
       "      <td>1.85392</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.021</td>\n",
       "      <td>421.40000</td>\n",
       "      <td>0.50000</td>\n",
       "      <td>102.00000</td>\n",
       "      <td>3.000</td>\n",
       "      <td>2.804</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.65147</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TNFSF10</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MAP2K</th>\n",
       "      <td>6.000</td>\n",
       "      <td>3.82407</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.938</td>\n",
       "      <td>615.40000</td>\n",
       "      <td>3.40000</td>\n",
       "      <td>102.00000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>2.652</td>\n",
       "      <td>37.000</td>\n",
       "      <td>0.50300</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CD19</th>\n",
       "      <td>4.511</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Proteasome</th>\n",
       "      <td>6.000</td>\n",
       "      <td>1.30195</td>\n",
       "      <td>4.00</td>\n",
       "      <td>0.024</td>\n",
       "      <td>384.20000</td>\n",
       "      <td>1.94206</td>\n",
       "      <td>124.00000</td>\n",
       "      <td>9.000</td>\n",
       "      <td>3.094</td>\n",
       "      <td>28.000</td>\n",
       "      <td>0.60444</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PI3KCD</th>\n",
       "      <td>7.000</td>\n",
       "      <td>3.35765</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.068</td>\n",
       "      <td>415.40000</td>\n",
       "      <td>3.70000</td>\n",
       "      <td>99.20000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>3.042</td>\n",
       "      <td>31.000</td>\n",
       "      <td>0.64957</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Proteasome_2</th>\n",
       "      <td>8.000</td>\n",
       "      <td>5.21453</td>\n",
       "      <td>4.00</td>\n",
       "      <td>1.757</td>\n",
       "      <td>719.90000</td>\n",
       "      <td>4.70000</td>\n",
       "      <td>159.00000</td>\n",
       "      <td>20.000</td>\n",
       "      <td>3.429</td>\n",
       "      <td>52.000</td>\n",
       "      <td>0.27258</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TKI_2</th>\n",
       "      <td>8.000</td>\n",
       "      <td>4.11733</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.279</td>\n",
       "      <td>482.80000</td>\n",
       "      <td>4.20000</td>\n",
       "      <td>92.40000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>3.454</td>\n",
       "      <td>33.000</td>\n",
       "      <td>0.52214</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MET_2</th>\n",
       "      <td>2.000</td>\n",
       "      <td>1.15258</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.067</td>\n",
       "      <td>369.40000</td>\n",
       "      <td>2.90000</td>\n",
       "      <td>66.90000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>3.049</td>\n",
       "      <td>28.000</td>\n",
       "      <td>0.65823</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_3</th>\n",
       "      <td>14.000</td>\n",
       "      <td>6.98594</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.451</td>\n",
       "      <td>958.20000</td>\n",
       "      <td>5.90000</td>\n",
       "      <td>205.00000</td>\n",
       "      <td>9.000</td>\n",
       "      <td>3.190</td>\n",
       "      <td>68.000</td>\n",
       "      <td>0.23458</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1_2</th>\n",
       "      <td>3.000</td>\n",
       "      <td>3.33167</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.428</td>\n",
       "      <td>387.50000</td>\n",
       "      <td>6.80000</td>\n",
       "      <td>32.70000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.438</td>\n",
       "      <td>29.000</td>\n",
       "      <td>0.58655</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Chloroquine</th>\n",
       "      <td>3.000</td>\n",
       "      <td>3.02202</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.316</td>\n",
       "      <td>319.90000</td>\n",
       "      <td>4.60000</td>\n",
       "      <td>28.20000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.461</td>\n",
       "      <td>22.000</td>\n",
       "      <td>0.57535</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ESR1_3</th>\n",
       "      <td>2.000</td>\n",
       "      <td>3.12629</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0.474</td>\n",
       "      <td>371.50000</td>\n",
       "      <td>7.10000</td>\n",
       "      <td>12.50000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>3.703</td>\n",
       "      <td>28.000</td>\n",
       "      <td>0.56030</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TYMS</th>\n",
       "      <td>3.000</td>\n",
       "      <td>0.41603</td>\n",
       "      <td>2.00</td>\n",
       "      <td>0.053</td>\n",
       "      <td>130.10000</td>\n",
       "      <td>-0.90000</td>\n",
       "      <td>58.20000</td>\n",
       "      <td>0.000</td>\n",
       "      <td>1.331</td>\n",
       "      <td>9.000</td>\n",
       "      <td>0.57018</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Gemcitibine</th>\n",
       "      <td>6.000</td>\n",
       "      <td>0.86747</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.010</td>\n",
       "      <td>264.20000</td>\n",
       "      <td>-0.90000</td>\n",
       "      <td>121.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.728</td>\n",
       "      <td>18.000</td>\n",
       "      <td>0.62381</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Cisplatin</th>\n",
       "      <td>33.000</td>\n",
       "      <td>6.81674</td>\n",
       "      <td>13.00</td>\n",
       "      <td>2.504</td>\n",
       "      <td>1428.00000</td>\n",
       "      <td>6.53938</td>\n",
       "      <td>522.00000</td>\n",
       "      <td>19.000</td>\n",
       "      <td>3.165</td>\n",
       "      <td>84.000</td>\n",
       "      <td>0.16984</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>PRKC</th>\n",
       "      <td>4.000</td>\n",
       "      <td>4.32886</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.989</td>\n",
       "      <td>515.60000</td>\n",
       "      <td>3.70000</td>\n",
       "      <td>72.20000</td>\n",
       "      <td>5.000</td>\n",
       "      <td>3.151</td>\n",
       "      <td>39.000</td>\n",
       "      <td>0.50484</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MTOR_2</th>\n",
       "      <td>16.000</td>\n",
       "      <td>6.94544</td>\n",
       "      <td>4.00</td>\n",
       "      <td>2.466</td>\n",
       "      <td>1030.30000</td>\n",
       "      <td>5.60000</td>\n",
       "      <td>242.00000</td>\n",
       "      <td>11.000</td>\n",
       "      <td>3.145</td>\n",
       "      <td>73.000</td>\n",
       "      <td>0.19927</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Azacytidine</th>\n",
       "      <td>5.000</td>\n",
       "      <td>0.27296</td>\n",
       "      <td>4.00</td>\n",
       "      <td>0.190</td>\n",
       "      <td>244.20000</td>\n",
       "      <td>-2.20000</td>\n",
       "      <td>141.00000</td>\n",
       "      <td>2.000</td>\n",
       "      <td>1.638</td>\n",
       "      <td>17.000</td>\n",
       "      <td>0.57536</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HDAC_4</th>\n",
       "      <td>3.000</td>\n",
       "      <td>1.45848</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.054</td>\n",
       "      <td>264.32000</td>\n",
       "      <td>1.90000</td>\n",
       "      <td>78.40000</td>\n",
       "      <td>8.000</td>\n",
       "      <td>2.247</td>\n",
       "      <td>19.000</td>\n",
       "      <td>0.64012</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CarboTaxol</th>\n",
       "      <td>14.000</td>\n",
       "      <td>5.09487</td>\n",
       "      <td>4.00</td>\n",
       "      <td>2.282</td>\n",
       "      <td>853.90000</td>\n",
       "      <td>2.50000</td>\n",
       "      <td>221.00000</td>\n",
       "      <td>14.000</td>\n",
       "      <td>2.552</td>\n",
       "      <td>62.000</td>\n",
       "      <td>0.21141</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FOLFIRI</th>\n",
       "      <td>20.000</td>\n",
       "      <td>6.26148</td>\n",
       "      <td>10.00</td>\n",
       "      <td>2.495</td>\n",
       "      <td>1190.20000</td>\n",
       "      <td>5.95020</td>\n",
       "      <td>386.00000</td>\n",
       "      <td>14.000</td>\n",
       "      <td>3.137</td>\n",
       "      <td>83.000</td>\n",
       "      <td>0.18496</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FOLFOX</th>\n",
       "      <td>18.000</td>\n",
       "      <td>5.11827</td>\n",
       "      <td>11.00</td>\n",
       "      <td>2.378</td>\n",
       "      <td>998.83000</td>\n",
       "      <td>4.15067</td>\n",
       "      <td>348.00000</td>\n",
       "      <td>9.000</td>\n",
       "      <td>2.964</td>\n",
       "      <td>58.000</td>\n",
       "      <td>0.25044</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>120 rows × 11 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                 HBA     cLogP    HBD  Lipinski          MW  ALogP/XLogP  \\\n",
       "ALK_2          4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "ATR_3          4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "BCL2_2         4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "AKT_SGK        4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "IAP            4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "IAP_2          4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "SLC16A4        4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "TNKS_PARP6     4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "PIK3CA_2       4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "PIK3CA_3       4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "PIK3CB         4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "PIP5K1         4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "ESR1           4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "WNT            4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "FGFR4          4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "ATM            8.000   4.28000   1.00     1.000   547.70000      3.82000   \n",
       "TOP2           4.000   5.44000   0.00     1.000   413.50000      5.40000   \n",
       "PRKDC_2        8.000   4.39000   1.00     1.000   582.70000      4.84000   \n",
       "FGFR           8.000   4.43000   3.00     0.000   463.60000      4.20000   \n",
       "MET_ALK        6.000   4.29000   3.00     0.000   450.30000      3.69000   \n",
       "AKT            8.000   1.18000   5.00     0.000   428.90000      1.32000   \n",
       "AKT_1          6.000   3.24000   3.00     0.000   407.50000      3.42000   \n",
       "ALK            8.000   3.89000   2.00     1.000   532.10000      3.78208   \n",
       "ALK_IGFR       7.000   4.08000   4.00     0.000   449.00000      2.75692   \n",
       "AR             6.000   3.35000   1.00     0.000   464.40000      3.02894   \n",
       "ATR_1          7.000   0.44000   1.00     0.000   398.50000      2.66000   \n",
       "ATR_2          7.000   0.96000   1.00     0.000   412.50000      3.04000   \n",
       "ATR_4          8.000   0.59000   2.00     0.000   412.50000      1.03667   \n",
       "BCL2          11.000  12.39000   2.00     3.000   974.60000     10.50000   \n",
       "BCL2_BCL2L1   11.000   9.62000   4.00     3.000   945.50000      5.36446   \n",
       "...              ...       ...    ...       ...         ...          ...   \n",
       "NAE            8.000   2.58578   3.00     0.180   443.50000      1.70000   \n",
       "HSP90          5.000   2.26274   2.00     0.058   409.52000      3.10000   \n",
       "PIK3C_MTOR     8.000   1.90345   2.00     0.030   425.50000      1.60000   \n",
       "BRAF_VEGFR2   11.000   4.55678   2.00     1.426   518.40000      5.40000   \n",
       "BRAF_2         5.000   1.18986   2.00     0.022   334.10000      1.70000   \n",
       "PIK3C_MTOR_2  10.000   4.29225   3.00     1.469   599.70000      5.10000   \n",
       "BIRC5          6.000   2.66515   0.00     0.113   443.30000      3.08664   \n",
       "TNF            7.000   1.85392   2.00     0.021   421.40000      0.50000   \n",
       "TNFSF10        4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "MAP2K          6.000   3.82407   2.00     0.938   615.40000      3.40000   \n",
       "CD19           4.511   0.37533   2.35     0.023   334.85592      0.64891   \n",
       "Proteasome     6.000   1.30195   4.00     0.024   384.20000      1.94206   \n",
       "PI3KCD         7.000   3.35765   2.00     0.068   415.40000      3.70000   \n",
       "Proteasome_2   8.000   5.21453   4.00     1.757   719.90000      4.70000   \n",
       "TKI_2          8.000   4.11733   3.00     0.279   482.80000      4.20000   \n",
       "MET_2          2.000   1.15258   2.00     0.067   369.40000      2.90000   \n",
       "MTOR_3        14.000   6.98594   3.00     2.451   958.20000      5.90000   \n",
       "ESR1_2         3.000   3.33167   1.00     0.428   387.50000      6.80000   \n",
       "Chloroquine    3.000   3.02202   1.00     0.316   319.90000      4.60000   \n",
       "ESR1_3         2.000   3.12629   0.00     0.474   371.50000      7.10000   \n",
       "TYMS           3.000   0.41603   2.00     0.053   130.10000     -0.90000   \n",
       "Gemcitibine    6.000   0.86747   3.00     0.010   264.20000     -0.90000   \n",
       "Cisplatin     33.000   6.81674  13.00     2.504  1428.00000      6.53938   \n",
       "PRKC           4.000   4.32886   1.00     0.989   515.60000      3.70000   \n",
       "MTOR_2        16.000   6.94544   4.00     2.466  1030.30000      5.60000   \n",
       "Azacytidine    5.000   0.27296   4.00     0.190   244.20000     -2.20000   \n",
       "HDAC_4         3.000   1.45848   3.00     0.054   264.32000      1.90000   \n",
       "CarboTaxol    14.000   5.09487   4.00     2.282   853.90000      2.50000   \n",
       "FOLFIRI       20.000   6.26148  10.00     2.495  1190.20000      5.95020   \n",
       "FOLFOX        18.000   5.11827  11.00     2.378   998.83000      4.15067   \n",
       "\n",
       "                    PSA  #RotBonds  Arom Rings  Heavy atoms      QED  \n",
       "ALK_2          92.76332      3.068       2.597       23.849  0.63639  \n",
       "ATR_3          92.76332      3.068       2.597       23.849  0.63639  \n",
       "BCL2_2         92.76332      3.068       2.597       23.849  0.63639  \n",
       "AKT_SGK        92.76332      3.068       2.597       23.849  0.63639  \n",
       "IAP            92.76332      3.068       2.597       23.849  0.63639  \n",
       "IAP_2          92.76332      3.068       2.597       23.849  0.63639  \n",
       "SLC16A4        92.76332      3.068       2.597       23.849  0.63639  \n",
       "TNKS_PARP6     92.76332      3.068       2.597       23.849  0.63639  \n",
       "PIK3CA_2       92.76332      3.068       2.597       23.849  0.63639  \n",
       "PIK3CA_3       92.76332      3.068       2.597       23.849  0.63639  \n",
       "PIK3CB         92.76332      3.068       2.597       23.849  0.63639  \n",
       "PIP5K1         92.76332      3.068       2.597       23.849  0.63639  \n",
       "ESR1           92.76332      3.068       2.597       23.849  0.63639  \n",
       "WNT            92.76332      3.068       2.597       23.849  0.63639  \n",
       "FGFR4          92.76332      3.068       2.597       23.849  0.63639  \n",
       "ATM           105.63000      5.000       2.000       39.000  0.60000  \n",
       "TOP2           67.00000      2.000       4.000       30.000  0.44000  \n",
       "PRKDC_2       102.58000      6.000       4.000       42.000  0.35000  \n",
       "FGFR           91.51000      8.000       4.000       34.000  0.46000  \n",
       "MET_ALK        77.99000      5.000       3.000       30.000  0.58000  \n",
       "AKT           120.16000      6.000       3.000       30.000  0.57000  \n",
       "AKT_1          83.60000      3.000       3.000       31.000  0.70000  \n",
       "ALK            90.07313      5.216       2.470       37.304  0.52116  \n",
       "ALK_IGFR       97.43558      4.903       2.427       30.291  0.61224  \n",
       "AR             83.00293      4.414       2.643       31.003  0.62862  \n",
       "ATR_1          96.56000      4.000       3.000       28.000  0.73000  \n",
       "ATR_2          96.56000      4.000       3.000       29.000  0.71000  \n",
       "ATR_4         101.15997      3.247       2.574       29.574  0.65759  \n",
       "BCL2          170.42000     17.000       4.000       65.000  0.10000  \n",
       "BCL2_BCL2L1   158.48754     11.564       2.847       60.555  0.19713  \n",
       "...                 ...        ...         ...          ...      ...  \n",
       "NAE           141.00000      6.000       3.153       31.000  0.57066  \n",
       "HSP90          67.20000      4.000       3.099       30.000  0.68058  \n",
       "PIK3C_MTOR    124.00000      6.000       3.084       31.000  0.60263  \n",
       "BRAF_VEGFR2    80.60000      5.000       3.469       37.000  0.45619  \n",
       "BRAF_2         83.50000      4.000       3.237       25.000  0.67529  \n",
       "PIK3C_MTOR_2  149.00000     10.000       3.377       43.000  0.37841  \n",
       "BIRC5          78.00000      5.000       3.483       28.000  0.63857  \n",
       "TNF           102.00000      3.000       2.804       31.000  0.65147  \n",
       "TNFSF10        92.76332      3.068       2.597       23.849  0.63639  \n",
       "MAP2K         102.00000      5.000       2.652       37.000  0.50300  \n",
       "CD19           92.76332      3.068       2.597       23.849  0.63639  \n",
       "Proteasome    124.00000      9.000       3.094       28.000  0.60444  \n",
       "PI3KCD         99.20000      5.000       3.042       31.000  0.64957  \n",
       "Proteasome_2  159.00000     20.000       3.429       52.000  0.27258  \n",
       "TKI_2          92.40000      5.000       3.454       33.000  0.52214  \n",
       "MET_2          66.90000      2.000       3.049       28.000  0.65823  \n",
       "MTOR_3        205.00000      9.000       3.190       68.000  0.23458  \n",
       "ESR1_2         32.70000      8.000       3.438       29.000  0.58655  \n",
       "Chloroquine    28.20000      8.000       3.461       22.000  0.57535  \n",
       "ESR1_3         12.50000      8.000       3.703       28.000  0.56030  \n",
       "TYMS           58.20000      0.000       1.331        9.000  0.57018  \n",
       "Gemcitibine   121.00000      2.000       1.728       18.000  0.62381  \n",
       "Cisplatin     522.00000     19.000       3.165       84.000  0.16984  \n",
       "PRKC           72.20000      5.000       3.151       39.000  0.50484  \n",
       "MTOR_2        242.00000     11.000       3.145       73.000  0.19927  \n",
       "Azacytidine   141.00000      2.000       1.638       17.000  0.57536  \n",
       "HDAC_4         78.40000      8.000       2.247       19.000  0.64012  \n",
       "CarboTaxol    221.00000     14.000       2.552       62.000  0.21141  \n",
       "FOLFIRI       386.00000     14.000       3.137       83.000  0.18496  \n",
       "FOLFOX        348.00000      9.000       2.964       58.000  0.25044  \n",
       "\n",
       "[120 rows x 11 columns]"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drug_info"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def generate_features(drug_info, orig):\n",
    "    drug_props_A = drug_info.rename(columns=lambda x: 'A_'+x)\n",
    "    drug_props_B = drug_info.rename(columns=lambda x: 'B_'+x)\n",
    "    features = orig.join(drug_props_A, on='COMPOUND_A').join(drug_props_B, on='COMPOUND_B')\n",
    "    return features"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "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>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>Einf_B</th>\n",
       "      <th>...</th>\n",
       "      <th>B_cLogP</th>\n",
       "      <th>B_HBD</th>\n",
       "      <th>B_Lipinski</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>BT-20</th>\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>91.593425</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-120</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-51</th>\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>76.656479</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DU-4475</th>\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>6.171007</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1143</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1187</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1428</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1806</th>\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>48.650054</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1937</th>\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>92.188029</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>M14</th>\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>83.937053</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-231</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-436</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-453</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>1.18000</td>\n",
       "      <td>5.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\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>90.995525</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-148</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAMA-1</th>\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>92.508112</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DU-4475</th>\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>30.854525</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1395</th>\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>94.600237</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1806</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-157</th>\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>90.900000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-231</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-436</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-468</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MFM-223</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>9.62000</td>\n",
       "      <td>4.00</td>\n",
       "      <td>3.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\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>83.552059</td>\n",
       "      <td>...</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-120</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-148</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1143</th>\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>92.404584</td>\n",
       "      <td>...</td>\n",
       "      <td>4.43000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000</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",
       "    </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>HCC38</th>\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>87.099685</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\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>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>Hs-578-T</th>\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>1.429575</td>\n",
       "      <td>44.471323</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-436</th>\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>40.340894</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BT-549</th>\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>34.469898</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAL-148</th>\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>21.798641</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>CAMA-1</th>\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>22.128540</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DU-4475</th>\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>66.718515</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1143</th>\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>40.193499</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1187</th>\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>54.150033</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1395</th>\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>24.797175</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1428</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC1937</th>\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>75.237253</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>HCC70</th>\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>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-157</th>\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>67.499480</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-231</th>\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>85.399839</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>MDA-MB-453</th>\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>45.892275</td>\n",
       "      <td>...</td>\n",
       "      <td>0.37533</td>\n",
       "      <td>2.35</td>\n",
       "      <td>0.023</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DMS-114</th>\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>85.780503</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1299</th>\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>85.612440</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1563</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1793</th>\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>92.200068</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H1975</th>\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>94.008242</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2170</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H2228</th>\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>71.390676</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H3122</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H358</th>\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>69.456002</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H520</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H522</th>\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>75.313805</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NCI-H838</th>\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>100.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SW900</th>\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>93.099496</td>\n",
       "      <td>...</td>\n",
       "      <td>0.03000</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.000</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",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2154 rows × 33 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "               COMPOUND_A   COMPOUND_B  MAX_CONC_A  MAX_CONC_B    IC50_A  \\\n",
       "CELL_LINE                                                                  \n",
       "BT-20              ADAM17          AKT         1.0          75  1.000000   \n",
       "CAL-120            ADAM17          AKT         1.0          75  0.183214   \n",
       "CAL-51             ADAM17          AKT         1.0          75  1.000000   \n",
       "DU-4475            ADAM17          AKT         1.0          75  0.321533   \n",
       "HCC1143            ADAM17          AKT         1.0          75  0.398673   \n",
       "HCC1187            ADAM17          AKT         1.0          75  0.410029   \n",
       "HCC1428            ADAM17          AKT         1.0          75  1.000000   \n",
       "HCC1806            ADAM17          AKT         1.0          75  0.313992   \n",
       "HCC1937            ADAM17          AKT         1.0          75  1.000000   \n",
       "HCC70              ADAM17          AKT         1.0          75  0.273313   \n",
       "M14                ADAM17          AKT         1.0          75  0.276412   \n",
       "MDA-MB-231         ADAM17          AKT         1.0          75  1.000000   \n",
       "MDA-MB-436         ADAM17          AKT         1.0          75  0.180147   \n",
       "MDA-MB-453         ADAM17          AKT         1.0          75  0.282664   \n",
       "BT-549             ADAM17  BCL2_BCL2L1         1.0          75  0.000100   \n",
       "CAL-148            ADAM17  BCL2_BCL2L1         1.0          75  0.288908   \n",
       "CAMA-1             ADAM17  BCL2_BCL2L1         1.0          75  1.000000   \n",
       "DU-4475            ADAM17  BCL2_BCL2L1         1.0          75  0.008057   \n",
       "HCC1395            ADAM17  BCL2_BCL2L1         1.0          75  1.000000   \n",
       "HCC1806            ADAM17  BCL2_BCL2L1         1.0          75  1.000000   \n",
       "HCC70              ADAM17  BCL2_BCL2L1         1.0          75  1.000000   \n",
       "MDA-MB-157         ADAM17  BCL2_BCL2L1         1.0          75  0.333916   \n",
       "MDA-MB-231         ADAM17  BCL2_BCL2L1         1.0          75  0.715985   \n",
       "MDA-MB-436         ADAM17  BCL2_BCL2L1         1.0          75  1.000000   \n",
       "MDA-MB-468         ADAM17  BCL2_BCL2L1         1.0          75  1.000000   \n",
       "MFM-223            ADAM17  BCL2_BCL2L1         1.0          75  0.351511   \n",
       "BT-549             ADAM17         FGFR         1.0          75  0.055009   \n",
       "CAL-120            ADAM17         FGFR         1.0          75  0.311347   \n",
       "CAL-148            ADAM17         FGFR         1.0          75  1.000000   \n",
       "HCC1143            ADAM17         FGFR         1.0          75  1.000000   \n",
       "...                   ...          ...         ...         ...       ...   \n",
       "HCC38       PIK3CB_PIK3CD      SLC16A4         1.0           1  1.000000   \n",
       "HCC70       PIK3CB_PIK3CD      SLC16A4         1.0           1  0.356637   \n",
       "Hs-578-T    PIK3CB_PIK3CD      SLC16A4         1.0           1  0.685166   \n",
       "MDA-MB-436  PIK3CB_PIK3CD      SLC16A4         1.0           1  1.000000   \n",
       "BT-549      PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.221318   \n",
       "CAL-148     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.039256   \n",
       "CAMA-1      PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.026810   \n",
       "DU-4475     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.018177   \n",
       "HCC1143     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.026025   \n",
       "HCC1187     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.018281   \n",
       "HCC1395     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.005034   \n",
       "HCC1428     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.028042   \n",
       "HCC1937     PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.096356   \n",
       "HCC70       PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.075813   \n",
       "MDA-MB-157  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.017111   \n",
       "MDA-MB-231  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.052049   \n",
       "MDA-MB-453  PIK3CB_PIK3CD   TNKS_PARP6         1.0           1  0.016529   \n",
       "DMS-114              PIM1       TOP2_2         3.0           3  0.637077   \n",
       "NCI-H1299            PIM1       TOP2_2         3.0           3  0.466653   \n",
       "NCI-H1563            PIM1       TOP2_2         0.3           3  0.300000   \n",
       "NCI-H1793            PIM1       TOP2_2         3.0           3  0.726660   \n",
       "NCI-H1975            PIM1       TOP2_2         3.0           3  0.479149   \n",
       "NCI-H2170            PIM1       TOP2_2         3.0           3  1.844566   \n",
       "NCI-H2228            PIM1       TOP2_2         3.0           3  0.302171   \n",
       "NCI-H3122            PIM1       TOP2_2         3.0           3  0.216809   \n",
       "NCI-H358             PIM1       TOP2_2         1.0           3  0.197928   \n",
       "NCI-H520             PIM1       TOP2_2         3.0           3  2.794214   \n",
       "NCI-H522             PIM1       TOP2_2         3.0           3  0.336011   \n",
       "NCI-H838             PIM1       TOP2_2         1.0           3  0.342100   \n",
       "SW900                PIM1       TOP2_2         3.0           3  0.428543   \n",
       "\n",
       "                  H_A      Einf_A     IC50_B        H_B      Einf_B   ...     \\\n",
       "CELL_LINE                                                             ...      \n",
       "BT-20        0.809002   59.122436   9.639714   0.757977   91.593425   ...      \n",
       "CAL-120      2.503678   60.411999   1.000000   0.000000  100.000000   ...      \n",
       "CAL-51       0.726984   11.150843  75.000000   0.375043   76.656479   ...      \n",
       "DU-4475     10.000000   58.599487  75.000000   1.995866    6.171007   ...      \n",
       "HCC1143     10.000000   89.098894   1.000000   0.000000  100.000000   ...      \n",
       "HCC1187      1.496901   51.921265   1.000000   0.000000  100.000000   ...      \n",
       "HCC1428      0.000000  100.000000   1.000000   0.000000  100.000000   ...      \n",
       "HCC1806     10.000000   63.399635  75.000000   0.392570   48.650054   ...      \n",
       "HCC1937      0.771830   41.529554   1.677924   1.119487   92.188029   ...      \n",
       "HCC70        4.442560   17.441897   1.000000   0.000000  100.000000   ...      \n",
       "M14          3.749313   36.292590   0.007500   0.100000   83.937053   ...      \n",
       "MDA-MB-231  10.000000   67.000017   1.000000   0.000000  100.000000   ...      \n",
       "MDA-MB-436   3.095076   75.768080   1.000000   0.000000  100.000000   ...      \n",
       "MDA-MB-453   2.263455   34.219723   1.000000   0.000000  100.000000   ...      \n",
       "BT-549       0.100000   79.232718   0.007500   0.100000   90.995525   ...      \n",
       "CAL-148      3.871862   35.479731   1.000000   0.000000  100.000000   ...      \n",
       "CAMA-1       0.351607   65.814282   0.007500   0.100000   92.508112   ...      \n",
       "DU-4475     10.000000    0.074954  37.436064   1.372342   30.854525   ...      \n",
       "HCC1395      0.141016   86.381581  75.000000  10.000000   94.600237   ...      \n",
       "HCC1806      0.000000  100.000000   1.000000   0.000000  100.000000   ...      \n",
       "HCC70        0.000000  100.000000   1.000000   0.000000  100.000000   ...      \n",
       "MDA-MB-157   0.691399   76.917447   0.007500   4.234800   90.900000   ...      \n",
       "MDA-MB-231   0.884762   38.570265   1.000000   0.000000  100.000000   ...      \n",
       "MDA-MB-436  10.000000   76.000066   1.000000   0.000000  100.000000   ...      \n",
       "MDA-MB-468   0.505492   25.212832   1.000000   0.000000  100.000000   ...      \n",
       "MFM-223     10.000000   61.798894   1.000000   0.000000  100.000000   ...      \n",
       "BT-549       0.446446   54.092640   0.007500   0.100000   83.552059   ...      \n",
       "CAL-120     10.000000   78.199750   1.000000   0.000000  100.000000   ...      \n",
       "CAL-148      0.000000  100.000000   1.000000   0.000000  100.000000   ...      \n",
       "HCC1143      0.000000  100.000000   0.007500   0.100000   92.404584   ...      \n",
       "...               ...         ...        ...        ...         ...   ...      \n",
       "HCC38        0.000000  100.000000   0.231559  10.000000   87.099685   ...      \n",
       "HCC70       10.000000   92.699755   0.122976   0.977204    0.000000   ...      \n",
       "Hs-578-T     1.138299   87.535632   1.000000   1.429575   44.471323   ...      \n",
       "MDA-MB-436   0.000000  100.000000   1.000000   0.782933   40.340894   ...      \n",
       "BT-549      10.000000   14.248535   0.123363   0.790966   34.469898   ...      \n",
       "CAL-148      1.621812    2.027993   0.333596  10.000000   21.798641   ...      \n",
       "CAMA-1       1.907569   23.015194   0.163415   1.905012   22.128540   ...      \n",
       "DU-4475      2.918650    2.525304   0.186303  10.000000   66.718515   ...      \n",
       "HCC1143      2.096399   26.400709   1.000000   0.849776   40.193499   ...      \n",
       "HCC1187      1.820252    3.845762   0.601973   1.041648   54.150033   ...      \n",
       "HCC1395      1.463661   11.557100   1.000000   0.364359   24.797175   ...      \n",
       "HCC1428     10.000000   45.366447   1.000000   0.000000  100.000000   ...      \n",
       "HCC1937     10.000000   68.399727   0.169525  10.000000   75.237253   ...      \n",
       "HCC70        1.374381   30.103892   0.115925   0.978402    0.000000   ...      \n",
       "MDA-MB-157   3.281376   14.460861   0.107079  10.000000   67.499480   ...      \n",
       "MDA-MB-231   1.635789   18.896245   0.300003  10.000000   85.399839   ...      \n",
       "MDA-MB-453   1.589690   14.240013   0.183147   2.390544   45.892275   ...      \n",
       "DMS-114      1.360992    0.000000   0.778400   4.903316   85.780503   ...      \n",
       "NCI-H1299    0.921472    1.618048   0.000300   0.100000   85.612440   ...      \n",
       "NCI-H1563   10.000000   78.003130   1.000000   0.000000  100.000000   ...      \n",
       "NCI-H1793    1.542166    0.000000   3.000000  10.000000   92.200068   ...      \n",
       "NCI-H1975    1.381059    3.874539   0.542728   0.308816   94.008242   ...      \n",
       "NCI-H2170    2.063073    0.000000   1.000000   0.000000  100.000000   ...      \n",
       "NCI-H2228    0.830244   12.295064   0.341114   2.702271   71.390676   ...      \n",
       "NCI-H3122    1.284506    0.000000   1.000000   0.000000  100.000000   ...      \n",
       "NCI-H358     1.589192   31.911375   3.000000   0.873734   69.456002   ...      \n",
       "NCI-H520     1.110436    0.000000   1.000000   0.000000  100.000000   ...      \n",
       "NCI-H522     1.066254    0.000000   3.000000   0.688168   75.313805   ...      \n",
       "NCI-H838    10.000000   19.798189   1.000000   0.000000  100.000000   ...      \n",
       "SW900        1.729323   16.342207   1.157256  10.000000   93.099496   ...      \n",
       "\n",
       "            B_cLogP  B_HBD  B_Lipinski       B_MW  B_ALogP/XLogP      B_PSA  \\\n",
       "CELL_LINE                                                                     \n",
       "BT-20       1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "CAL-120     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "CAL-51      1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "DU-4475     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "HCC1143     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "HCC1187     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "HCC1428     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "HCC1806     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "HCC1937     1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "HCC70       1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "M14         1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "MDA-MB-231  1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "MDA-MB-436  1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "MDA-MB-453  1.18000   5.00       0.000  428.90000        1.32000  120.16000   \n",
       "BT-549      9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "CAL-148     9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "CAMA-1      9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "DU-4475     9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "HCC1395     9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "HCC1806     9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "HCC70       9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "MDA-MB-157  9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "MDA-MB-231  9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "MDA-MB-436  9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "MDA-MB-468  9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "MFM-223     9.62000   4.00       3.000  945.50000        5.36446  158.48754   \n",
       "BT-549      4.43000   3.00       0.000  463.60000        4.20000   91.51000   \n",
       "CAL-120     4.43000   3.00       0.000  463.60000        4.20000   91.51000   \n",
       "CAL-148     4.43000   3.00       0.000  463.60000        4.20000   91.51000   \n",
       "HCC1143     4.43000   3.00       0.000  463.60000        4.20000   91.51000   \n",
       "...             ...    ...         ...        ...            ...        ...   \n",
       "HCC38       0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC70       0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "Hs-578-T    0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "MDA-MB-436  0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "BT-549      0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "CAL-148     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "CAMA-1      0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "DU-4475     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC1143     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC1187     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC1395     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC1428     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC1937     0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "HCC70       0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "MDA-MB-157  0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "MDA-MB-231  0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "MDA-MB-453  0.37533   2.35       0.023  334.85592        0.64891   92.76332   \n",
       "DMS-114     0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H1299   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H1563   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H1793   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H1975   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H2170   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H2228   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H3122   0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H358    0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H520    0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H522    0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "NCI-H838    0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "SW900       0.03000   3.00       2.000  588.60000        0.94000  160.82000   \n",
       "\n",
       "            B_#RotBonds  B_Arom Rings  B_Heavy atoms    B_QED  \n",
       "CELL_LINE                                                      \n",
       "BT-20             6.000         3.000         30.000  0.57000  \n",
       "CAL-120           6.000         3.000         30.000  0.57000  \n",
       "CAL-51            6.000         3.000         30.000  0.57000  \n",
       "DU-4475           6.000         3.000         30.000  0.57000  \n",
       "HCC1143           6.000         3.000         30.000  0.57000  \n",
       "HCC1187           6.000         3.000         30.000  0.57000  \n",
       "HCC1428           6.000         3.000         30.000  0.57000  \n",
       "HCC1806           6.000         3.000         30.000  0.57000  \n",
       "HCC1937           6.000         3.000         30.000  0.57000  \n",
       "HCC70             6.000         3.000         30.000  0.57000  \n",
       "M14               6.000         3.000         30.000  0.57000  \n",
       "MDA-MB-231        6.000         3.000         30.000  0.57000  \n",
       "MDA-MB-436        6.000         3.000         30.000  0.57000  \n",
       "MDA-MB-453        6.000         3.000         30.000  0.57000  \n",
       "BT-549           11.564         2.847         60.555  0.19713  \n",
       "CAL-148          11.564         2.847         60.555  0.19713  \n",
       "CAMA-1           11.564         2.847         60.555  0.19713  \n",
       "DU-4475          11.564         2.847         60.555  0.19713  \n",
       "HCC1395          11.564         2.847         60.555  0.19713  \n",
       "HCC1806          11.564         2.847         60.555  0.19713  \n",
       "HCC70            11.564         2.847         60.555  0.19713  \n",
       "MDA-MB-157       11.564         2.847         60.555  0.19713  \n",
       "MDA-MB-231       11.564         2.847         60.555  0.19713  \n",
       "MDA-MB-436       11.564         2.847         60.555  0.19713  \n",
       "MDA-MB-468       11.564         2.847         60.555  0.19713  \n",
       "MFM-223          11.564         2.847         60.555  0.19713  \n",
       "BT-549            8.000         4.000         34.000  0.46000  \n",
       "CAL-120           8.000         4.000         34.000  0.46000  \n",
       "CAL-148           8.000         4.000         34.000  0.46000  \n",
       "HCC1143           8.000         4.000         34.000  0.46000  \n",
       "...                 ...           ...            ...      ...  \n",
       "HCC38             3.068         2.597         23.849  0.63639  \n",
       "HCC70             3.068         2.597         23.849  0.63639  \n",
       "Hs-578-T          3.068         2.597         23.849  0.63639  \n",
       "MDA-MB-436        3.068         2.597         23.849  0.63639  \n",
       "BT-549            3.068         2.597         23.849  0.63639  \n",
       "CAL-148           3.068         2.597         23.849  0.63639  \n",
       "CAMA-1            3.068         2.597         23.849  0.63639  \n",
       "DU-4475           3.068         2.597         23.849  0.63639  \n",
       "HCC1143           3.068         2.597         23.849  0.63639  \n",
       "HCC1187           3.068         2.597         23.849  0.63639  \n",
       "HCC1395           3.068         2.597         23.849  0.63639  \n",
       "HCC1428           3.068         2.597         23.849  0.63639  \n",
       "HCC1937           3.068         2.597         23.849  0.63639  \n",
       "HCC70             3.068         2.597         23.849  0.63639  \n",
       "MDA-MB-157        3.068         2.597         23.849  0.63639  \n",
       "MDA-MB-231        3.068         2.597         23.849  0.63639  \n",
       "MDA-MB-453        3.068         2.597         23.849  0.63639  \n",
       "DMS-114           5.000         2.000         42.000  0.42000  \n",
       "NCI-H1299         5.000         2.000         42.000  0.42000  \n",
       "NCI-H1563         5.000         2.000         42.000  0.42000  \n",
       "NCI-H1793         5.000         2.000         42.000  0.42000  \n",
       "NCI-H1975         5.000         2.000         42.000  0.42000  \n",
       "NCI-H2170         5.000         2.000         42.000  0.42000  \n",
       "NCI-H2228         5.000         2.000         42.000  0.42000  \n",
       "NCI-H3122         5.000         2.000         42.000  0.42000  \n",
       "NCI-H358          5.000         2.000         42.000  0.42000  \n",
       "NCI-H520          5.000         2.000         42.000  0.42000  \n",
       "NCI-H522          5.000         2.000         42.000  0.42000  \n",
       "NCI-H838          5.000         2.000         42.000  0.42000  \n",
       "SW900             5.000         2.000         42.000  0.42000  \n",
       "\n",
       "[2154 rows x 33 columns]"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df = generate_features(drug_info, orig)\n",
    "df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "df.to_csv('Train_data/drug_exp2.csv')"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.4.3"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 0
}