synergy_base.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "import pandas as pd\n",
    "from sklearn import preprocessing"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "pandasdata = pd.DataFrame.from_csv('Drug_synergy_data/ch1_train_combination_and_monoTherapy.csv', header=0, index_col=False)\n",
    "le = preprocessing.LabelEncoder()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th>COMPOUND_A</th>\n",
       "      <th>COMPOUND_B</th>\n",
       "      <th>MAX_CONC_A</th>\n",
       "      <th>MAX_CONC_B</th>\n",
       "      <th>IC50_A</th>\n",
       "      <th>H_A</th>\n",
       "      <th>Einf_A</th>\n",
       "      <th>IC50_B</th>\n",
       "      <th>H_B</th>\n",
       "      <th>Einf_B</th>\n",
       "      <th>SYNERGY_SCORE</th>\n",
       "      <th>QA</th>\n",
       "      <th>COMBINATION_ID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BT-20</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.809002</td>\n",
       "      <td>59.122436</td>\n",
       "      <td>9.639714</td>\n",
       "      <td>0.757977</td>\n",
       "      <td>91.593425</td>\n",
       "      <td>29.540390</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CAL-51</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.726984</td>\n",
       "      <td>11.150843</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.375043</td>\n",
       "      <td>76.656479</td>\n",
       "      <td>0.315422</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>HCC1187</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.410029</td>\n",
       "      <td>1.496901</td>\n",
       "      <td>51.921265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-0.801993</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.313992</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>63.399635</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.392570</td>\n",
       "      <td>48.650054</td>\n",
       "      <td>-26.733250</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.771830</td>\n",
       "      <td>41.529554</td>\n",
       "      <td>1.677924</td>\n",
       "      <td>1.119487</td>\n",
       "      <td>92.188029</td>\n",
       "      <td>32.165520</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.273313</td>\n",
       "      <td>4.442560</td>\n",
       "      <td>17.441897</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>8.316890</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>67.000017</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>13.211020</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.180147</td>\n",
       "      <td>3.095076</td>\n",
       "      <td>75.768080</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-4.212955</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.282664</td>\n",
       "      <td>2.263455</td>\n",
       "      <td>34.219723</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>16.049800</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>M14</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>AKT</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.276412</td>\n",
       "      <td>3.749313</td>\n",
       "      <td>36.292590</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>83.937053</td>\n",
       "      <td>30.526590</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.AKT</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.000100</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>79.232718</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>90.995525</td>\n",
       "      <td>-7.039191</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>CAMA-1</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.351607</td>\n",
       "      <td>65.814282</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>92.508112</td>\n",
       "      <td>3.764896</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.008057</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.074954</td>\n",
       "      <td>37.436064</td>\n",
       "      <td>1.372342</td>\n",
       "      <td>30.854525</td>\n",
       "      <td>3.335391</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.141016</td>\n",
       "      <td>86.381581</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.600237</td>\n",
       "      <td>-1.784113</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>HCC1806</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>2.537269</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-12.643010</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.333916</td>\n",
       "      <td>0.691399</td>\n",
       "      <td>76.917447</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>4.234800</td>\n",
       "      <td>90.900000</td>\n",
       "      <td>-2.891425</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.715985</td>\n",
       "      <td>0.884762</td>\n",
       "      <td>38.570265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-0.907102</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>76.000066</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-1.782822</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.505492</td>\n",
       "      <td>25.212832</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-8.476032</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>MFM-223</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>BCL2_BCL2L1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.351511</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.798894</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-11.245900</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.BCL2_BCL2L1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>BT-549</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.055009</td>\n",
       "      <td>0.446446</td>\n",
       "      <td>54.092640</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>83.552059</td>\n",
       "      <td>-11.918370</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>HCC1143</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>92.404584</td>\n",
       "      <td>14.432570</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>HCC1395</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.013427</td>\n",
       "      <td>1.546685</td>\n",
       "      <td>47.806063</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.000277</td>\n",
       "      <td>3.629126</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.038940</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>94.040014</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.308487</td>\n",
       "      <td>89.769305</td>\n",
       "      <td>13.612460</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>HCC38</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.023901</td>\n",
       "      <td>3.796290</td>\n",
       "      <td>85.606815</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>3.676564</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.027860</td>\n",
       "      <td>1.803079</td>\n",
       "      <td>33.760231</td>\n",
       "      <td>4.235473</td>\n",
       "      <td>0.642597</td>\n",
       "      <td>92.789371</td>\n",
       "      <td>17.461270</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>MDA-MB-231</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-7.882297</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>MDA-MB-436</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>3.009749</td>\n",
       "      <td>82.013688</td>\n",
       "      <td>2.089504</td>\n",
       "      <td>2.383122</td>\n",
       "      <td>94.164730</td>\n",
       "      <td>-18.154110</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>ADAM17</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.235457</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>29.271529</td>\n",
       "      <td>16.446538</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>93.554031</td>\n",
       "      <td>-31.030500</td>\n",
       "      <td>1</td>\n",
       "      <td>ADAM17.FGFR</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2126</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.279629</td>\n",
       "      <td>83.078909</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.299655</td>\n",
       "      <td>44.179700</td>\n",
       "      <td>13.386370</td>\n",
       "      <td>-3</td>\n",
       "      <td>PIK3CB_PIK3CD.PIP5K1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2127</th>\n",
       "      <td>Hs-578-T</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>80.600234</td>\n",
       "      <td>-57.905280</td>\n",
       "      <td>-1</td>\n",
       "      <td>PIK3CB_PIK3CD.PIP5K1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2128</th>\n",
       "      <td>MDA-MB-468</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>PIP5K1</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-12.387710</td>\n",
       "      <td>-1</td>\n",
       "      <td>PIK3CB_PIK3CD.PIP5K1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2129</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.199115</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.880515</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-27.751760</td>\n",
       "      <td>-1</td>\n",
       "      <td>FGFR.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2130</th>\n",
       "      <td>HCC70</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-13.268700</td>\n",
       "      <td>-1</td>\n",
       "      <td>FGFR.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2131</th>\n",
       "      <td>MDA-MB-453</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.400137</td>\n",
       "      <td>0.101618</td>\n",
       "      <td>9.928095</td>\n",
       "      <td>21.998971</td>\n",
       "      <td>-51.417120</td>\n",
       "      <td>-1</td>\n",
       "      <td>FGFR.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2132</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>49.800407</td>\n",
       "      <td>0.408807</td>\n",
       "      <td>1.513629</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>-6.124153</td>\n",
       "      <td>-1</td>\n",
       "      <td>MTOR_1.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2133</th>\n",
       "      <td>MDA-MB-157</td>\n",
       "      <td>MTOR_1</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.188912</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.165949</td>\n",
       "      <td>0.122660</td>\n",
       "      <td>2.100550</td>\n",
       "      <td>58.014875</td>\n",
       "      <td>-5.522929</td>\n",
       "      <td>-1</td>\n",
       "      <td>MTOR_1.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2134</th>\n",
       "      <td>CAL-120</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.281863</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.599843</td>\n",
       "      <td>8.528798</td>\n",
       "      <td>-1</td>\n",
       "      <td>PIK3CB_PIK3CD.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2135</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>SLC16A4</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>64.600386</td>\n",
       "      <td>-39.297970</td>\n",
       "      <td>-1</td>\n",
       "      <td>PIK3CB_PIK3CD.SLC16A4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2136</th>\n",
       "      <td>HCT-116</td>\n",
       "      <td>IGFR_3</td>\n",
       "      <td>TKI</td>\n",
       "      <td>3.00</td>\n",
       "      <td>10.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-49.386980</td>\n",
       "      <td>-1</td>\n",
       "      <td>IGFR_3.TKI</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2137</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.030000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>2.200644</td>\n",
       "      <td>1.802000</td>\n",
       "      <td>-1</td>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2138</th>\n",
       "      <td>NCI-H1563</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.010285</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>17.698144</td>\n",
       "      <td>0.963779</td>\n",
       "      <td>-1</td>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2139</th>\n",
       "      <td>NCI-H226</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.011123</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>80.899062</td>\n",
       "      <td>0.005038</td>\n",
       "      <td>2.174639</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>37.454410</td>\n",
       "      <td>-2</td>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2140</th>\n",
       "      <td>NCI-H2291</td>\n",
       "      <td>CSNK2A1_2</td>\n",
       "      <td>TNFSF10</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.01</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.002391</td>\n",
       "      <td>1.155651</td>\n",
       "      <td>17.167295</td>\n",
       "      <td>-19.998620</td>\n",
       "      <td>-1</td>\n",
       "      <td>CSNK2A1_2.TNFSF10</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2141</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.015031</td>\n",
       "      <td>1.964171</td>\n",
       "      <td>1.256086</td>\n",
       "      <td>0.134083</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>43.693337</td>\n",
       "      <td>8.332856</td>\n",
       "      <td>-3</td>\n",
       "      <td>AKT.TNKS_PARP6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2142</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>AKT</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.098550</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.599662</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>82.600142</td>\n",
       "      <td>52.929260</td>\n",
       "      <td>-1</td>\n",
       "      <td>AKT.TNKS_PARP6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2143</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.060135</td>\n",
       "      <td>1.262816</td>\n",
       "      <td>53.668078</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>21.776430</td>\n",
       "      <td>-3</td>\n",
       "      <td>FGFR.TNKS_PARP6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2144</th>\n",
       "      <td>M14</td>\n",
       "      <td>FGFR</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.172157</td>\n",
       "      <td>7.940519</td>\n",
       "      <td>16.699767</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>3.643210</td>\n",
       "      <td>-3</td>\n",
       "      <td>FGFR.TNKS_PARP6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2145</th>\n",
       "      <td>DU-4475</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.018177</td>\n",
       "      <td>2.918650</td>\n",
       "      <td>2.525304</td>\n",
       "      <td>0.186303</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>66.718515</td>\n",
       "      <td>6.683709</td>\n",
       "      <td>-3</td>\n",
       "      <td>PIK3CB_PIK3CD.TNKS_PARP6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2146</th>\n",
       "      <td>HCC1937</td>\n",
       "      <td>PIK3CB_PIK3CD</td>\n",
       "      <td>TNKS_PARP6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.096356</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>68.399727</td>\n",
       "      <td>0.169525</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>75.237253</td>\n",
       "      <td>16.367960</td>\n",
       "      <td>-1</td>\n",
       "      <td>PIK3CB_PIK3CD.TNKS_PARP6</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2147</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>2.891598</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>-9.617122</td>\n",
       "      <td>-1</td>\n",
       "      <td>ALK_2.TOP2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2148</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.504366</td>\n",
       "      <td>1.598284</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.933531</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>42.599123</td>\n",
       "      <td>-69.598120</td>\n",
       "      <td>-1</td>\n",
       "      <td>ALK_2.TOP2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2149</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>ALK_2</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.058825</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>28.614024</td>\n",
       "      <td>0.088139</td>\n",
       "      <td>1.511200</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>73.321870</td>\n",
       "      <td>-2</td>\n",
       "      <td>ALK_2.TOP2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2150</th>\n",
       "      <td>NCI-H2170</td>\n",
       "      <td>Doxorubicin</td>\n",
       "      <td>TOP2</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>2.877492</td>\n",
       "      <td>0.809600</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>2.048971</td>\n",
       "      <td>1.299719</td>\n",
       "      <td>-20.599360</td>\n",
       "      <td>-1</td>\n",
       "      <td>Doxorubicin.TOP2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2151</th>\n",
       "      <td>Calu-3</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000003</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>89.777949</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-22.581350</td>\n",
       "      <td>-1</td>\n",
       "      <td>BCL2L1.Vinorelbine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2152</th>\n",
       "      <td>NCI-H520</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.003404</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>93.199856</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-58.197420</td>\n",
       "      <td>-1</td>\n",
       "      <td>BCL2L1.Vinorelbine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2153</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>BCL2L1</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.028819</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>6.698028</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-95.180600</td>\n",
       "      <td>-1</td>\n",
       "      <td>BCL2L1.Vinorelbine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2154</th>\n",
       "      <td>NCI-H3122</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.007438</td>\n",
       "      <td>0.831225</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-38.825460</td>\n",
       "      <td>-1</td>\n",
       "      <td>BCL2_2.Vinorelbine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2155</th>\n",
       "      <td>NCI-H838</td>\n",
       "      <td>BCL2_2</td>\n",
       "      <td>Vinorelbine</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.029195</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>9.098033</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-121.620100</td>\n",
       "      <td>-1</td>\n",
       "      <td>BCL2_2.Vinorelbine</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2156 rows × 14 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "       CELL_LINE     COMPOUND_A   COMPOUND_B  MAX_CONC_A  MAX_CONC_B  \\\n",
       "0          BT-20         ADAM17          AKT        1.00       75.00   \n",
       "1         CAL-51         ADAM17          AKT        1.00       75.00   \n",
       "2        HCC1187         ADAM17          AKT        1.00       75.00   \n",
       "3        HCC1806         ADAM17          AKT        1.00       75.00   \n",
       "4        HCC1937         ADAM17          AKT        1.00       75.00   \n",
       "5          HCC70         ADAM17          AKT        1.00       75.00   \n",
       "6     MDA-MB-231         ADAM17          AKT        1.00       75.00   \n",
       "7     MDA-MB-436         ADAM17          AKT        1.00       75.00   \n",
       "8     MDA-MB-453         ADAM17          AKT        1.00       75.00   \n",
       "9            M14         ADAM17          AKT        1.00       75.00   \n",
       "10        BT-549         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "11        CAMA-1         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "12       DU-4475         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "13       HCC1395         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "14       HCC1806         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "15         HCC70         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "16    MDA-MB-157         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "17    MDA-MB-231         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "18    MDA-MB-436         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "19    MDA-MB-468         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "20       MFM-223         ADAM17  BCL2_BCL2L1        1.00       75.00   \n",
       "21        BT-549         ADAM17         FGFR        1.00       75.00   \n",
       "22       HCC1143         ADAM17         FGFR        1.00       75.00   \n",
       "23       HCC1395         ADAM17         FGFR        1.00       75.00   \n",
       "24       HCC1937         ADAM17         FGFR        1.00       75.00   \n",
       "25         HCC38         ADAM17         FGFR        1.00       75.00   \n",
       "26    MDA-MB-157         ADAM17         FGFR        1.00       75.00   \n",
       "27    MDA-MB-231         ADAM17         FGFR        1.00       75.00   \n",
       "28    MDA-MB-436         ADAM17         FGFR        1.00       75.00   \n",
       "29    MDA-MB-453         ADAM17         FGFR        1.00       75.00   \n",
       "...          ...            ...          ...         ...         ...   \n",
       "2126     HCC1937  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2127    Hs-578-T  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2128  MDA-MB-468  PIK3CB_PIK3CD       PIP5K1        1.00        1.00   \n",
       "2129     DU-4475           FGFR      SLC16A4        1.00        1.00   \n",
       "2130       HCC70           FGFR      SLC16A4        1.00        1.00   \n",
       "2131  MDA-MB-453           FGFR      SLC16A4        1.00        1.00   \n",
       "2132     DU-4475         MTOR_1      SLC16A4        1.00        1.00   \n",
       "2133  MDA-MB-157         MTOR_1      SLC16A4        1.00        1.00   \n",
       "2134     CAL-120  PIK3CB_PIK3CD      SLC16A4        1.00        1.00   \n",
       "2135     DU-4475  PIK3CB_PIK3CD      SLC16A4        1.00        1.00   \n",
       "2136     HCT-116         IGFR_3          TKI        3.00       10.00   \n",
       "2137      Calu-3      CSNK2A1_2      TNFSF10        0.03        0.03   \n",
       "2138   NCI-H1563      CSNK2A1_2      TNFSF10        0.03        0.03   \n",
       "2139    NCI-H226      CSNK2A1_2      TNFSF10        0.03        0.10   \n",
       "2140   NCI-H2291      CSNK2A1_2      TNFSF10        0.03        0.01   \n",
       "2141     DU-4475            AKT   TNKS_PARP6        1.00        1.00   \n",
       "2142     HCC1937            AKT   TNKS_PARP6        1.00        1.00   \n",
       "2143     HCC1937           FGFR   TNKS_PARP6        1.00        1.00   \n",
       "2144         M14           FGFR   TNKS_PARP6        1.00        1.00   \n",
       "2145     DU-4475  PIK3CB_PIK3CD   TNKS_PARP6        1.00        1.00   \n",
       "2146     HCC1937  PIK3CB_PIK3CD   TNKS_PARP6        1.00        1.00   \n",
       "2147      Calu-3          ALK_2         TOP2        3.00        3.00   \n",
       "2148   NCI-H2170          ALK_2         TOP2        3.00        3.00   \n",
       "2149   NCI-H3122          ALK_2         TOP2        3.00        3.00   \n",
       "2150   NCI-H2170    Doxorubicin         TOP2        3.00        0.10   \n",
       "2151      Calu-3         BCL2L1  Vinorelbine        0.03        3.00   \n",
       "2152    NCI-H520         BCL2L1  Vinorelbine        0.01        3.00   \n",
       "2153    NCI-H838         BCL2L1  Vinorelbine        0.10        3.00   \n",
       "2154   NCI-H3122         BCL2_2  Vinorelbine        0.10        3.00   \n",
       "2155    NCI-H838         BCL2_2  Vinorelbine        0.10        3.00   \n",
       "\n",
       "        IC50_A        H_A      Einf_A     IC50_B        H_B      Einf_B  \\\n",
       "0     1.000000   0.809002   59.122436   9.639714   0.757977   91.593425   \n",
       "1     1.000000   0.726984   11.150843  75.000000   0.375043   76.656479   \n",
       "2     0.410029   1.496901   51.921265   1.000000   0.000000  100.000000   \n",
       "3     0.313992  10.000000   63.399635  75.000000   0.392570   48.650054   \n",
       "4     1.000000   0.771830   41.529554   1.677924   1.119487   92.188029   \n",
       "5     0.273313   4.442560   17.441897   1.000000   0.000000  100.000000   \n",
       "6     1.000000  10.000000   67.000017   1.000000   0.000000  100.000000   \n",
       "7     0.180147   3.095076   75.768080   1.000000   0.000000  100.000000   \n",
       "8     0.282664   2.263455   34.219723   1.000000   0.000000  100.000000   \n",
       "9     0.276412   3.749313   36.292590   0.007500   0.100000   83.937053   \n",
       "10    0.000100   0.100000   79.232718   0.007500   0.100000   90.995525   \n",
       "11    1.000000   0.351607   65.814282   0.007500   0.100000   92.508112   \n",
       "12    0.008057  10.000000    0.074954  37.436064   1.372342   30.854525   \n",
       "13    1.000000   0.141016   86.381581  75.000000  10.000000   94.600237   \n",
       "14    1.000000   0.000000  100.000000   1.000000   0.000000  100.000000   \n",
       "15    1.000000   0.000000  100.000000   1.000000   0.000000  100.000000   \n",
       "16    0.333916   0.691399   76.917447   0.007500   4.234800   90.900000   \n",
       "17    0.715985   0.884762   38.570265   1.000000   0.000000  100.000000   \n",
       "18    1.000000  10.000000   76.000066   1.000000   0.000000  100.000000   \n",
       "19    1.000000   0.505492   25.212832   1.000000   0.000000  100.000000   \n",
       "20    0.351511  10.000000   61.798894   1.000000   0.000000  100.000000   \n",
       "21    0.055009   0.446446   54.092640   0.007500   0.100000   83.552059   \n",
       "22    1.000000   0.000000  100.000000   0.007500   0.100000   92.404584   \n",
       "23    0.013427   1.546685   47.806063  75.000000  10.000000   94.000277   \n",
       "24    0.038940   0.100000   94.040014  75.000000   0.308487   89.769305   \n",
       "25    0.023901   3.796290   85.606815   1.000000   0.000000  100.000000   \n",
       "26    0.027860   1.803079   33.760231   4.235473   0.642597   92.789371   \n",
       "27    1.000000   0.000000  100.000000   1.000000   0.000000  100.000000   \n",
       "28    1.000000   3.009749   82.013688   2.089504   2.383122   94.164730   \n",
       "29    0.235457  10.000000   29.271529  16.446538  10.000000   93.554031   \n",
       "...        ...        ...         ...        ...        ...         ...   \n",
       "2126  1.000000   0.279629   83.078909   1.000000   0.299655   44.179700   \n",
       "2127  1.000000   0.000000  100.000000   1.000000  10.000000   80.600234   \n",
       "2128  1.000000   0.000000  100.000000   1.000000   0.000000  100.000000   \n",
       "2129  0.199115  10.000000   83.880515   1.000000   0.000000  100.000000   \n",
       "2130  1.000000   0.000000  100.000000   1.000000   0.000000  100.000000   \n",
       "2131  1.000000  10.000000   94.400137   0.101618   9.928095   21.998971   \n",
       "2132  1.000000  10.000000   49.800407   0.408807   1.513629    0.000000   \n",
       "2133  0.188912  10.000000   83.165949   0.122660   2.100550   58.014875   \n",
       "2134  1.000000   0.000000  100.000000   0.281863  10.000000   61.599843   \n",
       "2135  1.000000   0.000000  100.000000   1.000000  10.000000   64.600386   \n",
       "2136  1.000000   0.000000  100.000000   1.000000   0.000000  100.000000   \n",
       "2137  1.000000   0.000000  100.000000   0.030000  10.000000    2.200644   \n",
       "2138  1.000000   0.000000  100.000000   0.010285  10.000000   17.698144   \n",
       "2139  0.011123  10.000000   80.899062   0.005038   2.174639    0.000000   \n",
       "2140  1.000000   0.000000  100.000000   0.002391   1.155651   17.167295   \n",
       "2141  0.015031   1.964171    1.256086   0.134083  10.000000   43.693337   \n",
       "2142  0.098550  10.000000   61.599662   1.000000  10.000000   82.600142   \n",
       "2143  0.060135   1.262816   53.668078   1.000000   0.000000  100.000000   \n",
       "2144  0.172157   7.940519   16.699767   1.000000   0.000000  100.000000   \n",
       "2145  0.018177   2.918650    2.525304   0.186303  10.000000   66.718515   \n",
       "2146  0.096356  10.000000   68.399727   0.169525  10.000000   75.237253   \n",
       "2147  1.000000   0.000000  100.000000   2.891598  10.000000    0.000000   \n",
       "2148  2.504366   1.598284    0.000000   0.933531  10.000000   42.599123   \n",
       "2149  0.058825  10.000000   28.614024   0.088139   1.511200    0.000000   \n",
       "2150  2.877492   0.809600    0.000000   0.100000   2.048971    1.299719   \n",
       "2151  0.000003   0.100000   89.777949   1.000000   0.000000  100.000000   \n",
       "2152  0.003404  10.000000   93.199856   1.000000   0.000000  100.000000   \n",
       "2153  0.028819  10.000000    6.698028   1.000000   0.000000  100.000000   \n",
       "2154  0.007438   0.831225    0.000000   1.000000   0.000000  100.000000   \n",
       "2155  0.029195  10.000000    9.098033   1.000000   0.000000  100.000000   \n",
       "\n",
       "      SYNERGY_SCORE  QA            COMBINATION_ID  \n",
       "0         29.540390   1                ADAM17.AKT  \n",
       "1          0.315422   1                ADAM17.AKT  \n",
       "2         -0.801993   1                ADAM17.AKT  \n",
       "3        -26.733250   1                ADAM17.AKT  \n",
       "4         32.165520   1                ADAM17.AKT  \n",
       "5          8.316890   1                ADAM17.AKT  \n",
       "6         13.211020   1                ADAM17.AKT  \n",
       "7         -4.212955   1                ADAM17.AKT  \n",
       "8         16.049800   1                ADAM17.AKT  \n",
       "9         30.526590   1                ADAM17.AKT  \n",
       "10        -7.039191   1        ADAM17.BCL2_BCL2L1  \n",
       "11         3.764896   1        ADAM17.BCL2_BCL2L1  \n",
       "12         3.335391   1        ADAM17.BCL2_BCL2L1  \n",
       "13        -1.784113   1        ADAM17.BCL2_BCL2L1  \n",
       "14         2.537269   1        ADAM17.BCL2_BCL2L1  \n",
       "15       -12.643010   1        ADAM17.BCL2_BCL2L1  \n",
       "16        -2.891425   1        ADAM17.BCL2_BCL2L1  \n",
       "17        -0.907102   1        ADAM17.BCL2_BCL2L1  \n",
       "18        -1.782822   1        ADAM17.BCL2_BCL2L1  \n",
       "19        -8.476032   1        ADAM17.BCL2_BCL2L1  \n",
       "20       -11.245900   1        ADAM17.BCL2_BCL2L1  \n",
       "21       -11.918370   1               ADAM17.FGFR  \n",
       "22        14.432570   1               ADAM17.FGFR  \n",
       "23         3.629126   1               ADAM17.FGFR  \n",
       "24        13.612460   1               ADAM17.FGFR  \n",
       "25         3.676564   1               ADAM17.FGFR  \n",
       "26        17.461270   1               ADAM17.FGFR  \n",
       "27        -7.882297   1               ADAM17.FGFR  \n",
       "28       -18.154110   1               ADAM17.FGFR  \n",
       "29       -31.030500   1               ADAM17.FGFR  \n",
       "...             ...  ..                       ...  \n",
       "2126      13.386370  -3      PIK3CB_PIK3CD.PIP5K1  \n",
       "2127     -57.905280  -1      PIK3CB_PIK3CD.PIP5K1  \n",
       "2128     -12.387710  -1      PIK3CB_PIK3CD.PIP5K1  \n",
       "2129     -27.751760  -1              FGFR.SLC16A4  \n",
       "2130     -13.268700  -1              FGFR.SLC16A4  \n",
       "2131     -51.417120  -1              FGFR.SLC16A4  \n",
       "2132      -6.124153  -1            MTOR_1.SLC16A4  \n",
       "2133      -5.522929  -1            MTOR_1.SLC16A4  \n",
       "2134       8.528798  -1     PIK3CB_PIK3CD.SLC16A4  \n",
       "2135     -39.297970  -1     PIK3CB_PIK3CD.SLC16A4  \n",
       "2136     -49.386980  -1                IGFR_3.TKI  \n",
       "2137       1.802000  -1         CSNK2A1_2.TNFSF10  \n",
       "2138       0.963779  -1         CSNK2A1_2.TNFSF10  \n",
       "2139      37.454410  -2         CSNK2A1_2.TNFSF10  \n",
       "2140     -19.998620  -1         CSNK2A1_2.TNFSF10  \n",
       "2141       8.332856  -3            AKT.TNKS_PARP6  \n",
       "2142      52.929260  -1            AKT.TNKS_PARP6  \n",
       "2143      21.776430  -3           FGFR.TNKS_PARP6  \n",
       "2144       3.643210  -3           FGFR.TNKS_PARP6  \n",
       "2145       6.683709  -3  PIK3CB_PIK3CD.TNKS_PARP6  \n",
       "2146      16.367960  -1  PIK3CB_PIK3CD.TNKS_PARP6  \n",
       "2147      -9.617122  -1                ALK_2.TOP2  \n",
       "2148     -69.598120  -1                ALK_2.TOP2  \n",
       "2149      73.321870  -2                ALK_2.TOP2  \n",
       "2150     -20.599360  -1          Doxorubicin.TOP2  \n",
       "2151     -22.581350  -1        BCL2L1.Vinorelbine  \n",
       "2152     -58.197420  -1        BCL2L1.Vinorelbine  \n",
       "2153     -95.180600  -1        BCL2L1.Vinorelbine  \n",
       "2154     -38.825460  -1        BCL2_2.Vinorelbine  \n",
       "2155    -121.620100  -1        BCL2_2.Vinorelbine  \n",
       "\n",
       "[2156 rows x 14 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pandasdata"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 87,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "class MatrixLabelEncoder:\n",
    "    \n",
    "    def __init__(self, columns = None):\n",
    "        self.columns = columns\n",
    "        \n",
    "    def fit(self, X, y=None):\n",
    "        return self\n",
    "    \n",
    "    def transform(self, X):\n",
    "        output = X.copy();\n",
    "        if self.columns is not None:\n",
    "            for col in self.columns:\n",
    "                output[col] = le.fit_transform(output[col])\n",
    "        else:\n",
    "            for colname, col in output.items():\n",
    "                if type(col[0]) is str:\n",
    "                    output[colname] = le.fit_transform(col)\n",
    "        return output\n",
    "    \n",
    "    def fit_transform(self, X, y=None):\n",
    "        return self.fit(X, y).transform(X)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 101,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CELL_LINE</th>\n",
       "      <th>COMPOUND_A</th>\n",
       "      <th>COMPOUND_B</th>\n",
       "      <th>MAX_CONC_A</th>\n",
       "      <th>MAX_CONC_B</th>\n",
       "      <th>IC50_A</th>\n",
       "      <th>H_A</th>\n",
       "      <th>Einf_A</th>\n",
       "      <th>IC50_B</th>\n",
       "      <th>H_B</th>\n",
       "      <th>Einf_B</th>\n",
       "      <th>SYNERGY_SCORE</th>\n",
       "      <th>QA</th>\n",
       "      <th>COMBINATION_ID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>4</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.809002</td>\n",
       "      <td>59.122436</td>\n",
       "      <td>9.639714</td>\n",
       "      <td>0.757977</td>\n",
       "      <td>91.593425</td>\n",
       "      <td>29.540390</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>10</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.726984</td>\n",
       "      <td>11.150843</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.375043</td>\n",
       "      <td>76.656479</td>\n",
       "      <td>0.315422</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>19</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.410029</td>\n",
       "      <td>1.496901</td>\n",
       "      <td>51.921265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-0.801993</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>25</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.313992</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>63.399635</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.392570</td>\n",
       "      <td>48.650054</td>\n",
       "      <td>-26.733250</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>26</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.771830</td>\n",
       "      <td>41.529554</td>\n",
       "      <td>1.677924</td>\n",
       "      <td>1.119487</td>\n",
       "      <td>92.188029</td>\n",
       "      <td>32.165520</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>29</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.273313</td>\n",
       "      <td>4.442560</td>\n",
       "      <td>17.441897</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>8.316890</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>44</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>67.000017</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>13.211020</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>47</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.180147</td>\n",
       "      <td>3.095076</td>\n",
       "      <td>75.768080</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-4.212955</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>48</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.282664</td>\n",
       "      <td>2.263455</td>\n",
       "      <td>34.219723</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>16.049800</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>40</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.276412</td>\n",
       "      <td>3.749313</td>\n",
       "      <td>36.292590</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>83.937053</td>\n",
       "      <td>30.526590</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>6</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.000100</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>79.232718</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>90.995525</td>\n",
       "      <td>-7.039191</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>11</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.351607</td>\n",
       "      <td>65.814282</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>92.508112</td>\n",
       "      <td>3.764896</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>16</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.008057</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.074954</td>\n",
       "      <td>37.436064</td>\n",
       "      <td>1.372342</td>\n",
       "      <td>30.854525</td>\n",
       "      <td>3.335391</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>20</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.141016</td>\n",
       "      <td>86.381581</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.600237</td>\n",
       "      <td>-1.784113</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>25</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>2.537269</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>29</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-12.643010</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>42</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.333916</td>\n",
       "      <td>0.691399</td>\n",
       "      <td>76.917447</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>4.234800</td>\n",
       "      <td>90.900000</td>\n",
       "      <td>-2.891425</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>44</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.715985</td>\n",
       "      <td>0.884762</td>\n",
       "      <td>38.570265</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-0.907102</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>47</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>76.000066</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-1.782822</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>49</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.505492</td>\n",
       "      <td>25.212832</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-8.476032</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>50</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.351511</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.798894</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-11.245900</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>6</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.055009</td>\n",
       "      <td>0.446446</td>\n",
       "      <td>54.092640</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>83.552059</td>\n",
       "      <td>-11.918370</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>18</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.007500</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>92.404584</td>\n",
       "      <td>14.432570</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>20</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.013427</td>\n",
       "      <td>1.546685</td>\n",
       "      <td>47.806063</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.000277</td>\n",
       "      <td>3.629126</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>26</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.038940</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>94.040014</td>\n",
       "      <td>75.000000</td>\n",
       "      <td>0.308487</td>\n",
       "      <td>89.769305</td>\n",
       "      <td>13.612460</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>28</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.023901</td>\n",
       "      <td>3.796290</td>\n",
       "      <td>85.606815</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>3.676564</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>42</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.027860</td>\n",
       "      <td>1.803079</td>\n",
       "      <td>33.760231</td>\n",
       "      <td>4.235473</td>\n",
       "      <td>0.642597</td>\n",
       "      <td>92.789371</td>\n",
       "      <td>17.461270</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>44</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-7.882297</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>47</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>3.009749</td>\n",
       "      <td>82.013688</td>\n",
       "      <td>2.089504</td>\n",
       "      <td>2.383122</td>\n",
       "      <td>94.164730</td>\n",
       "      <td>-18.154110</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>48</td>\n",
       "      <td>0</td>\n",
       "      <td>17</td>\n",
       "      <td>1.00</td>\n",
       "      <td>75.00</td>\n",
       "      <td>0.235457</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>29.271529</td>\n",
       "      <td>16.446538</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>93.554031</td>\n",
       "      <td>-31.030500</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2126</th>\n",
       "      <td>26</td>\n",
       "      <td>44</td>\n",
       "      <td>40</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.279629</td>\n",
       "      <td>83.078909</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.299655</td>\n",
       "      <td>44.179700</td>\n",
       "      <td>13.386370</td>\n",
       "      <td>-3</td>\n",
       "      <td>164</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2127</th>\n",
       "      <td>34</td>\n",
       "      <td>44</td>\n",
       "      <td>40</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>80.600234</td>\n",
       "      <td>-57.905280</td>\n",
       "      <td>-1</td>\n",
       "      <td>164</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2128</th>\n",
       "      <td>49</td>\n",
       "      <td>44</td>\n",
       "      <td>40</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-12.387710</td>\n",
       "      <td>-1</td>\n",
       "      <td>164</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2129</th>\n",
       "      <td>16</td>\n",
       "      <td>30</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.199115</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.880515</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-27.751760</td>\n",
       "      <td>-1</td>\n",
       "      <td>119</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2130</th>\n",
       "      <td>29</td>\n",
       "      <td>30</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-13.268700</td>\n",
       "      <td>-1</td>\n",
       "      <td>119</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2131</th>\n",
       "      <td>48</td>\n",
       "      <td>30</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>94.400137</td>\n",
       "      <td>0.101618</td>\n",
       "      <td>9.928095</td>\n",
       "      <td>21.998971</td>\n",
       "      <td>-51.417120</td>\n",
       "      <td>-1</td>\n",
       "      <td>119</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2132</th>\n",
       "      <td>16</td>\n",
       "      <td>40</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>49.800407</td>\n",
       "      <td>0.408807</td>\n",
       "      <td>1.513629</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>-6.124153</td>\n",
       "      <td>-1</td>\n",
       "      <td>155</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2133</th>\n",
       "      <td>42</td>\n",
       "      <td>40</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.188912</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>83.165949</td>\n",
       "      <td>0.122660</td>\n",
       "      <td>2.100550</td>\n",
       "      <td>58.014875</td>\n",
       "      <td>-5.522929</td>\n",
       "      <td>-1</td>\n",
       "      <td>155</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2134</th>\n",
       "      <td>8</td>\n",
       "      <td>44</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.281863</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.599843</td>\n",
       "      <td>8.528798</td>\n",
       "      <td>-1</td>\n",
       "      <td>165</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2135</th>\n",
       "      <td>16</td>\n",
       "      <td>44</td>\n",
       "      <td>43</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>64.600386</td>\n",
       "      <td>-39.297970</td>\n",
       "      <td>-1</td>\n",
       "      <td>165</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2136</th>\n",
       "      <td>30</td>\n",
       "      <td>35</td>\n",
       "      <td>46</td>\n",
       "      <td>3.00</td>\n",
       "      <td>10.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-49.386980</td>\n",
       "      <td>-1</td>\n",
       "      <td>142</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2137</th>\n",
       "      <td>13</td>\n",
       "      <td>17</td>\n",
       "      <td>48</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.030000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>2.200644</td>\n",
       "      <td>1.802000</td>\n",
       "      <td>-1</td>\n",
       "      <td>85</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2138</th>\n",
       "      <td>53</td>\n",
       "      <td>17</td>\n",
       "      <td>48</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.03</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.010285</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>17.698144</td>\n",
       "      <td>0.963779</td>\n",
       "      <td>-1</td>\n",
       "      <td>85</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2139</th>\n",
       "      <td>60</td>\n",
       "      <td>17</td>\n",
       "      <td>48</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.10</td>\n",
       "      <td>0.011123</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>80.899062</td>\n",
       "      <td>0.005038</td>\n",
       "      <td>2.174639</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>37.454410</td>\n",
       "      <td>-2</td>\n",
       "      <td>85</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2140</th>\n",
       "      <td>61</td>\n",
       "      <td>17</td>\n",
       "      <td>48</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0.01</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>0.002391</td>\n",
       "      <td>1.155651</td>\n",
       "      <td>17.167295</td>\n",
       "      <td>-19.998620</td>\n",
       "      <td>-1</td>\n",
       "      <td>85</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2141</th>\n",
       "      <td>16</td>\n",
       "      <td>1</td>\n",
       "      <td>49</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.015031</td>\n",
       "      <td>1.964171</td>\n",
       "      <td>1.256086</td>\n",
       "      <td>0.134083</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>43.693337</td>\n",
       "      <td>8.332856</td>\n",
       "      <td>-3</td>\n",
       "      <td>22</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2142</th>\n",
       "      <td>26</td>\n",
       "      <td>1</td>\n",
       "      <td>49</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.098550</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>61.599662</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>82.600142</td>\n",
       "      <td>52.929260</td>\n",
       "      <td>-1</td>\n",
       "      <td>22</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2143</th>\n",
       "      <td>26</td>\n",
       "      <td>30</td>\n",
       "      <td>49</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.060135</td>\n",
       "      <td>1.262816</td>\n",
       "      <td>53.668078</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>21.776430</td>\n",
       "      <td>-3</td>\n",
       "      <td>120</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2144</th>\n",
       "      <td>40</td>\n",
       "      <td>30</td>\n",
       "      <td>49</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.172157</td>\n",
       "      <td>7.940519</td>\n",
       "      <td>16.699767</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>3.643210</td>\n",
       "      <td>-3</td>\n",
       "      <td>120</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2145</th>\n",
       "      <td>16</td>\n",
       "      <td>44</td>\n",
       "      <td>49</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.018177</td>\n",
       "      <td>2.918650</td>\n",
       "      <td>2.525304</td>\n",
       "      <td>0.186303</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>66.718515</td>\n",
       "      <td>6.683709</td>\n",
       "      <td>-3</td>\n",
       "      <td>166</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2146</th>\n",
       "      <td>26</td>\n",
       "      <td>44</td>\n",
       "      <td>49</td>\n",
       "      <td>1.00</td>\n",
       "      <td>1.00</td>\n",
       "      <td>0.096356</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>68.399727</td>\n",
       "      <td>0.169525</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>75.237253</td>\n",
       "      <td>16.367960</td>\n",
       "      <td>-1</td>\n",
       "      <td>166</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2147</th>\n",
       "      <td>13</td>\n",
       "      <td>5</td>\n",
       "      <td>50</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>2.891598</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>-9.617122</td>\n",
       "      <td>-1</td>\n",
       "      <td>45</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2148</th>\n",
       "      <td>58</td>\n",
       "      <td>5</td>\n",
       "      <td>50</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>2.504366</td>\n",
       "      <td>1.598284</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.933531</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>42.599123</td>\n",
       "      <td>-69.598120</td>\n",
       "      <td>-1</td>\n",
       "      <td>45</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2149</th>\n",
       "      <td>63</td>\n",
       "      <td>5</td>\n",
       "      <td>50</td>\n",
       "      <td>3.00</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.058825</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>28.614024</td>\n",
       "      <td>0.088139</td>\n",
       "      <td>1.511200</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>73.321870</td>\n",
       "      <td>-2</td>\n",
       "      <td>45</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2150</th>\n",
       "      <td>58</td>\n",
       "      <td>22</td>\n",
       "      <td>50</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.10</td>\n",
       "      <td>2.877492</td>\n",
       "      <td>0.809600</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>2.048971</td>\n",
       "      <td>1.299719</td>\n",
       "      <td>-20.599360</td>\n",
       "      <td>-1</td>\n",
       "      <td>95</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2151</th>\n",
       "      <td>13</td>\n",
       "      <td>10</td>\n",
       "      <td>53</td>\n",
       "      <td>0.03</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.000003</td>\n",
       "      <td>0.100000</td>\n",
       "      <td>89.777949</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-22.581350</td>\n",
       "      <td>-1</td>\n",
       "      <td>65</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2152</th>\n",
       "      <td>65</td>\n",
       "      <td>10</td>\n",
       "      <td>53</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.003404</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>93.199856</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-58.197420</td>\n",
       "      <td>-1</td>\n",
       "      <td>65</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2153</th>\n",
       "      <td>68</td>\n",
       "      <td>10</td>\n",
       "      <td>53</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.028819</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>6.698028</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-95.180600</td>\n",
       "      <td>-1</td>\n",
       "      <td>65</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2154</th>\n",
       "      <td>63</td>\n",
       "      <td>11</td>\n",
       "      <td>53</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.007438</td>\n",
       "      <td>0.831225</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-38.825460</td>\n",
       "      <td>-1</td>\n",
       "      <td>67</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2155</th>\n",
       "      <td>68</td>\n",
       "      <td>11</td>\n",
       "      <td>53</td>\n",
       "      <td>0.10</td>\n",
       "      <td>3.00</td>\n",
       "      <td>0.029195</td>\n",
       "      <td>10.000000</td>\n",
       "      <td>9.098033</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>100.000000</td>\n",
       "      <td>-121.620100</td>\n",
       "      <td>-1</td>\n",
       "      <td>67</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2156 rows × 14 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      CELL_LINE  COMPOUND_A  COMPOUND_B  MAX_CONC_A  MAX_CONC_B    IC50_A  \\\n",
       "0             4           0           0        1.00       75.00  1.000000   \n",
       "1            10           0           0        1.00       75.00  1.000000   \n",
       "2            19           0           0        1.00       75.00  0.410029   \n",
       "3            25           0           0        1.00       75.00  0.313992   \n",
       "4            26           0           0        1.00       75.00  1.000000   \n",
       "5            29           0           0        1.00       75.00  0.273313   \n",
       "6            44           0           0        1.00       75.00  1.000000   \n",
       "7            47           0           0        1.00       75.00  0.180147   \n",
       "8            48           0           0        1.00       75.00  0.282664   \n",
       "9            40           0           0        1.00       75.00  0.276412   \n",
       "10            6           0           6        1.00       75.00  0.000100   \n",
       "11           11           0           6        1.00       75.00  1.000000   \n",
       "12           16           0           6        1.00       75.00  0.008057   \n",
       "13           20           0           6        1.00       75.00  1.000000   \n",
       "14           25           0           6        1.00       75.00  1.000000   \n",
       "15           29           0           6        1.00       75.00  1.000000   \n",
       "16           42           0           6        1.00       75.00  0.333916   \n",
       "17           44           0           6        1.00       75.00  0.715985   \n",
       "18           47           0           6        1.00       75.00  1.000000   \n",
       "19           49           0           6        1.00       75.00  1.000000   \n",
       "20           50           0           6        1.00       75.00  0.351511   \n",
       "21            6           0          17        1.00       75.00  0.055009   \n",
       "22           18           0          17        1.00       75.00  1.000000   \n",
       "23           20           0          17        1.00       75.00  0.013427   \n",
       "24           26           0          17        1.00       75.00  0.038940   \n",
       "25           28           0          17        1.00       75.00  0.023901   \n",
       "26           42           0          17        1.00       75.00  0.027860   \n",
       "27           44           0          17        1.00       75.00  1.000000   \n",
       "28           47           0          17        1.00       75.00  1.000000   \n",
       "29           48           0          17        1.00       75.00  0.235457   \n",
       "...         ...         ...         ...         ...         ...       ...   \n",
       "2126         26          44          40        1.00        1.00  1.000000   \n",
       "2127         34          44          40        1.00        1.00  1.000000   \n",
       "2128         49          44          40        1.00        1.00  1.000000   \n",
       "2129         16          30          43        1.00        1.00  0.199115   \n",
       "2130         29          30          43        1.00        1.00  1.000000   \n",
       "2131         48          30          43        1.00        1.00  1.000000   \n",
       "2132         16          40          43        1.00        1.00  1.000000   \n",
       "2133         42          40          43        1.00        1.00  0.188912   \n",
       "2134          8          44          43        1.00        1.00  1.000000   \n",
       "2135         16          44          43        1.00        1.00  1.000000   \n",
       "2136         30          35          46        3.00       10.00  1.000000   \n",
       "2137         13          17          48        0.03        0.03  1.000000   \n",
       "2138         53          17          48        0.03        0.03  1.000000   \n",
       "2139         60          17          48        0.03        0.10  0.011123   \n",
       "2140         61          17          48        0.03        0.01  1.000000   \n",
       "2141         16           1          49        1.00        1.00  0.015031   \n",
       "2142         26           1          49        1.00        1.00  0.098550   \n",
       "2143         26          30          49        1.00        1.00  0.060135   \n",
       "2144         40          30          49        1.00        1.00  0.172157   \n",
       "2145         16          44          49        1.00        1.00  0.018177   \n",
       "2146         26          44          49        1.00        1.00  0.096356   \n",
       "2147         13           5          50        3.00        3.00  1.000000   \n",
       "2148         58           5          50        3.00        3.00  2.504366   \n",
       "2149         63           5          50        3.00        3.00  0.058825   \n",
       "2150         58          22          50        3.00        0.10  2.877492   \n",
       "2151         13          10          53        0.03        3.00  0.000003   \n",
       "2152         65          10          53        0.01        3.00  0.003404   \n",
       "2153         68          10          53        0.10        3.00  0.028819   \n",
       "2154         63          11          53        0.10        3.00  0.007438   \n",
       "2155         68          11          53        0.10        3.00  0.029195   \n",
       "\n",
       "            H_A      Einf_A     IC50_B        H_B      Einf_B  SYNERGY_SCORE  \\\n",
       "0      0.809002   59.122436   9.639714   0.757977   91.593425      29.540390   \n",
       "1      0.726984   11.150843  75.000000   0.375043   76.656479       0.315422   \n",
       "2      1.496901   51.921265   1.000000   0.000000  100.000000      -0.801993   \n",
       "3     10.000000   63.399635  75.000000   0.392570   48.650054     -26.733250   \n",
       "4      0.771830   41.529554   1.677924   1.119487   92.188029      32.165520   \n",
       "5      4.442560   17.441897   1.000000   0.000000  100.000000       8.316890   \n",
       "6     10.000000   67.000017   1.000000   0.000000  100.000000      13.211020   \n",
       "7      3.095076   75.768080   1.000000   0.000000  100.000000      -4.212955   \n",
       "8      2.263455   34.219723   1.000000   0.000000  100.000000      16.049800   \n",
       "9      3.749313   36.292590   0.007500   0.100000   83.937053      30.526590   \n",
       "10     0.100000   79.232718   0.007500   0.100000   90.995525      -7.039191   \n",
       "11     0.351607   65.814282   0.007500   0.100000   92.508112       3.764896   \n",
       "12    10.000000    0.074954  37.436064   1.372342   30.854525       3.335391   \n",
       "13     0.141016   86.381581  75.000000  10.000000   94.600237      -1.784113   \n",
       "14     0.000000  100.000000   1.000000   0.000000  100.000000       2.537269   \n",
       "15     0.000000  100.000000   1.000000   0.000000  100.000000     -12.643010   \n",
       "16     0.691399   76.917447   0.007500   4.234800   90.900000      -2.891425   \n",
       "17     0.884762   38.570265   1.000000   0.000000  100.000000      -0.907102   \n",
       "18    10.000000   76.000066   1.000000   0.000000  100.000000      -1.782822   \n",
       "19     0.505492   25.212832   1.000000   0.000000  100.000000      -8.476032   \n",
       "20    10.000000   61.798894   1.000000   0.000000  100.000000     -11.245900   \n",
       "21     0.446446   54.092640   0.007500   0.100000   83.552059     -11.918370   \n",
       "22     0.000000  100.000000   0.007500   0.100000   92.404584      14.432570   \n",
       "23     1.546685   47.806063  75.000000  10.000000   94.000277       3.629126   \n",
       "24     0.100000   94.040014  75.000000   0.308487   89.769305      13.612460   \n",
       "25     3.796290   85.606815   1.000000   0.000000  100.000000       3.676564   \n",
       "26     1.803079   33.760231   4.235473   0.642597   92.789371      17.461270   \n",
       "27     0.000000  100.000000   1.000000   0.000000  100.000000      -7.882297   \n",
       "28     3.009749   82.013688   2.089504   2.383122   94.164730     -18.154110   \n",
       "29    10.000000   29.271529  16.446538  10.000000   93.554031     -31.030500   \n",
       "...         ...         ...        ...        ...         ...            ...   \n",
       "2126   0.279629   83.078909   1.000000   0.299655   44.179700      13.386370   \n",
       "2127   0.000000  100.000000   1.000000  10.000000   80.600234     -57.905280   \n",
       "2128   0.000000  100.000000   1.000000   0.000000  100.000000     -12.387710   \n",
       "2129  10.000000   83.880515   1.000000   0.000000  100.000000     -27.751760   \n",
       "2130   0.000000  100.000000   1.000000   0.000000  100.000000     -13.268700   \n",
       "2131  10.000000   94.400137   0.101618   9.928095   21.998971     -51.417120   \n",
       "2132  10.000000   49.800407   0.408807   1.513629    0.000000      -6.124153   \n",
       "2133  10.000000   83.165949   0.122660   2.100550   58.014875      -5.522929   \n",
       "2134   0.000000  100.000000   0.281863  10.000000   61.599843       8.528798   \n",
       "2135   0.000000  100.000000   1.000000  10.000000   64.600386     -39.297970   \n",
       "2136   0.000000  100.000000   1.000000   0.000000  100.000000     -49.386980   \n",
       "2137   0.000000  100.000000   0.030000  10.000000    2.200644       1.802000   \n",
       "2138   0.000000  100.000000   0.010285  10.000000   17.698144       0.963779   \n",
       "2139  10.000000   80.899062   0.005038   2.174639    0.000000      37.454410   \n",
       "2140   0.000000  100.000000   0.002391   1.155651   17.167295     -19.998620   \n",
       "2141   1.964171    1.256086   0.134083  10.000000   43.693337       8.332856   \n",
       "2142  10.000000   61.599662   1.000000  10.000000   82.600142      52.929260   \n",
       "2143   1.262816   53.668078   1.000000   0.000000  100.000000      21.776430   \n",
       "2144   7.940519   16.699767   1.000000   0.000000  100.000000       3.643210   \n",
       "2145   2.918650    2.525304   0.186303  10.000000   66.718515       6.683709   \n",
       "2146  10.000000   68.399727   0.169525  10.000000   75.237253      16.367960   \n",
       "2147   0.000000  100.000000   2.891598  10.000000    0.000000      -9.617122   \n",
       "2148   1.598284    0.000000   0.933531  10.000000   42.599123     -69.598120   \n",
       "2149  10.000000   28.614024   0.088139   1.511200    0.000000      73.321870   \n",
       "2150   0.809600    0.000000   0.100000   2.048971    1.299719     -20.599360   \n",
       "2151   0.100000   89.777949   1.000000   0.000000  100.000000     -22.581350   \n",
       "2152  10.000000   93.199856   1.000000   0.000000  100.000000     -58.197420   \n",
       "2153  10.000000    6.698028   1.000000   0.000000  100.000000     -95.180600   \n",
       "2154   0.831225    0.000000   1.000000   0.000000  100.000000     -38.825460   \n",
       "2155  10.000000    9.098033   1.000000   0.000000  100.000000    -121.620100   \n",
       "\n",
       "      QA  COMBINATION_ID  \n",
       "0      1               0  \n",
       "1      1               0  \n",
       "2      1               0  \n",
       "3      1               0  \n",
       "4      1               0  \n",
       "5      1               0  \n",
       "6      1               0  \n",
       "7      1               0  \n",
       "8      1               0  \n",
       "9      1               0  \n",
       "10     1               1  \n",
       "11     1               1  \n",
       "12     1               1  \n",
       "13     1               1  \n",
       "14     1               1  \n",
       "15     1               1  \n",
       "16     1               1  \n",
       "17     1               1  \n",
       "18     1               1  \n",
       "19     1               1  \n",
       "20     1               1  \n",
       "21     1               2  \n",
       "22     1               2  \n",
       "23     1               2  \n",
       "24     1               2  \n",
       "25     1               2  \n",
       "26     1               2  \n",
       "27     1               2  \n",
       "28     1               2  \n",
       "29     1               2  \n",
       "...   ..             ...  \n",
       "2126  -3             164  \n",
       "2127  -1             164  \n",
       "2128  -1             164  \n",
       "2129  -1             119  \n",
       "2130  -1             119  \n",
       "2131  -1             119  \n",
       "2132  -1             155  \n",
       "2133  -1             155  \n",
       "2134  -1             165  \n",
       "2135  -1             165  \n",
       "2136  -1             142  \n",
       "2137  -1              85  \n",
       "2138  -1              85  \n",
       "2139  -2              85  \n",
       "2140  -1              85  \n",
       "2141  -3              22  \n",
       "2142  -1              22  \n",
       "2143  -3             120  \n",
       "2144  -3             120  \n",
       "2145  -3             166  \n",
       "2146  -1             166  \n",
       "2147  -1              45  \n",
       "2148  -1              45  \n",
       "2149  -2              45  \n",
       "2150  -1              95  \n",
       "2151  -1              65  \n",
       "2152  -1              65  \n",
       "2153  -1              65  \n",
       "2154  -1              67  \n",
       "2155  -1              67  \n",
       "\n",
       "[2156 rows x 14 columns]"
      ]
     },
     "execution_count": 101,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "MatrixLabelEncoder().fit_transform(pandasdata)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Algorithm training"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "from sklearn.ensemble import RandomForestRegressor, AdaBoostRegressor, GradientBoostingRegressor\n",
    "from sklearn.linear_model import LinearRegression\n",
    "from sklearn.svm import SVR\n",
    "from sklearn.tree import DecisionTreeRegressor\n",
    "from sklearn.grid_search import GridSearchCV, RandomizedSearchCV\n",
    "from sklearn import cross_validation\n",
    "from sklearn.cross_validation import train_test_split\n",
    "import math"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "#encodedData = MatrixLabelEncoder().fit_transform(pandasdata)\n",
    "# Xpd = encodedData.ix[:, :'Einf_B']\n",
    "# Ypd = encodedData.ix[:, 'SYNERGY_SCORE']\n",
    "pandas_clean = pandasdata[np.logical_and(pandasdata.SYNERGY_SCORE < 300, \n",
    "                                         pandasdata.SYNERGY_SCORE > -300)]\n",
    "pandas_clean.to_csv('Clean_data/train.csv')\n",
    "pandasX = pandas_clean.ix[:, :'Einf_B']\n",
    "pandasY = pandas_clean.ix[:, 'SYNERGY_SCORE']\n",
    "\n",
    "Xpd = pd.get_dummies(pandasX, columns=['CELL_LINE', 'COMPOUND_A', 'COMPOUND_B'])\n",
    "Ypd = pandas_clean['SYNERGY_SCORE']\n",
    "Xvals = Xpd.values\n",
    "yvals = Ypd.values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Random Forest"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 952,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "n_features = Xvals.shape[1]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 813,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "param_grid_rf = {\n",
    "    'n_estimators': [10, 20],\n",
    "    'max_features': ['auto', 'sqrt', 0.25],\n",
    "    'max_depth': [None, 5, 10],\n",
    "    'min_samples_leaf': [1, 2],\n",
    "    'max_leaf_nodes': [(int)(n_features/4), (int)(n_features/5)]\n",
    "}\n",
    "rfr = RandomForestRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 873,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'max_depth': None, 'n_estimators': 10, 'min_samples_leaf': 1, 'max_features': 'sqrt', 'max_leaf_nodes': 48}\n",
      "0.225859902923\n",
      "{'max_depth': None, 'n_estimators': 20, 'min_samples_leaf': 1, 'max_features': 'sqrt', 'max_leaf_nodes': 48}\n",
      "0.225760878513\n",
      "{'max_depth': None, 'n_estimators': 20, 'min_samples_leaf': 2, 'max_features': 'sqrt', 'max_leaf_nodes': 48}\n",
      "0.106978329886\n",
      "{'max_depth': 10, 'n_estimators': 20, 'min_samples_leaf': 1, 'max_features': 0.25, 'max_leaf_nodes': 39}\n",
      "0.111481732918\n",
      "{'max_depth': 5, 'n_estimators': 20, 'min_samples_leaf': 2, 'max_features': 'sqrt', 'max_leaf_nodes': 48}\n",
      "0.122998329751\n"
     ]
    }
   ],
   "source": [
    "grid_search_rf = GridSearchCV(rfr, param_grid_rf, n_jobs=2)\n",
    "for i in range(5):\n",
    "    #X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)\n",
    "    grid_search_rf.fit(X_train, y_train)\n",
    "    print(grid_search_rf.best_params_)\n",
    "    print(grid_search_rf.best_score_)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 961,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "RandomForestRegressor(bootstrap=True, criterion='mse', max_depth=None,\n",
       "           max_features=0.25, max_leaf_nodes=39, min_samples_leaf=1,\n",
       "           min_samples_split=2, min_weight_fraction_leaf=0.0,\n",
       "           n_estimators=15, n_jobs=1, oob_score=False, random_state=None,\n",
       "           verbose=0, warm_start=False)"
      ]
     },
     "execution_count": 961,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rfr = RandomForestRegressor(n_estimators=15, max_leaf_nodes = (int)(n_features/5),\n",
    "                            max_features = 0.25, min_samples_leaf = 1)\n",
    "rfr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 954,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "import scoring"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 962,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.189756870386\n",
      "1227.88951632\n"
     ]
    }
   ],
   "source": [
    "print(rfr.score(X_test, y_test))\n",
    "print(scoring.mse(rfr, X_train, X_test, y_train, y_test))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Linear Regression"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 846,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "LinearRegression(copy_X=True, fit_intercept=True, n_jobs=1, normalize=False)"
      ]
     },
     "execution_count": 846,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "lr = LinearRegression()\n",
    "lr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 932,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "-1.72486913385\n",
      "2549.51044188\n"
     ]
    }
   ],
   "source": [
    "print(lr.score(X_test, y_test))\n",
    "print(scoring.mse(rfr, X_train, X_test, y_train, y_test))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## SVR"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 501,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "Xnorm = preprocessing.normalize(Xvals)\n",
    "Ynorm = preprocessing.normalize(yvals).reshape(2156,)\n",
    "X_train_norm, X_test_norm, y_train_norm, y_test_norm = cross_validation.train_test_split(Xnorm, Ynorm)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 779,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "param_grid_svr = {\n",
    "    'C': [30, 90, 300],\n",
    "    'epsilon': [0.3, 1, 3],\n",
    "    'gamma': [0.0, 0.0015, 0.001]\n",
    "}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "grid_search = GridSearchCV(svr, param_grid_svr, n_jobs=2)\n",
    "for i in range(5):\n",
    "    X_train_norm, X_test_norm, y_train_norm, y_test_norm = cross_validation.train_test_split(Xvals, yvals)\n",
    "    grid_search.fit(X_train_norm, y_train_norm)\n",
    "    print(grid_search.best_params_)\n",
    "    print(grid_search.best_score_)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 850,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "SVR(C=1.0, cache_size=200, coef0=0.0, degree=3, epsilon=0.2, gamma=0.2,\n",
       "  kernel='rbf', max_iter=-1, shrinking=True, tol=0.001, verbose=False)"
      ]
     },
     "execution_count": 850,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "svr = SVR(C=1.0, epsilon=0.2, gamma=0.2)\n",
    "svr.fit(X_train_norm, y_train_norm)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 851,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.00585640122819\n"
     ]
    }
   ],
   "source": [
    "print(svr.score(X_test_norm, y_test_norm))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Decision Tree Regressor"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 852,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "DecisionTreeRegressor(criterion='mse', max_depth=None, max_features=None,\n",
       "           max_leaf_nodes=None, min_samples_leaf=1, min_samples_split=2,\n",
       "           min_weight_fraction_leaf=0.0, random_state=None,\n",
       "           splitter='best')"
      ]
     },
     "execution_count": 852,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "dtr = DecisionTreeRegressor()\n",
    "dtr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 853,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "-0.294714891611\n"
     ]
    }
   ],
   "source": [
    "print(dtr.score(X_test, y_test))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## AdaBoost Regressor"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 854,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "AdaBoostRegressor(base_estimator=None, learning_rate=1.0, loss='linear',\n",
       "         n_estimators=50, random_state=None)"
      ]
     },
     "execution_count": 854,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "abr = AdaBoostRegressor()\n",
    "abr.fit(X_train, y_train)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 855,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.18255475977058244"
      ]
     },
     "execution_count": 855,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "abr.score(X_test, y_test)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Gradient Boosting Regressor"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 921,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "param_grid_gb = {\n",
    "    'loss': ['ls', 'lad', 'huber', 'quantile'],\n",
    "    'learning_rate': [0.03, 0.1, 0.3],\n",
    "    'n_estimators': [50, 100, 150]\n",
    "}\n",
    "gbr = GradientBoostingRegressor()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 922,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{'loss': 'huber', 'learning_rate': 0.1, 'n_estimators': 100}\n",
      "0.230009084939\n",
      "{'loss': 'huber', 'learning_rate': 0.03, 'n_estimators': 150}\n",
      "0.277248286205\n",
      "{'loss': 'huber', 'learning_rate': 0.1, 'n_estimators': 50}\n",
      "0.184776149184\n",
      "{'loss': 'huber', 'learning_rate': 0.1, 'n_estimators': 100}\n",
      "0.314745512832\n",
      "{'loss': 'lad', 'learning_rate': 0.3, 'n_estimators': 100}\n",
      "0.19535635962\n",
      "{'loss': 'huber', 'learning_rate': 0.1, 'n_estimators': 150}\n",
      "0.275855392373\n",
      "{'loss': 'huber', 'learning_rate': 0.1, 'n_estimators': 100}\n",
      "0.256520972693\n",
      "{'loss': 'lad', 'learning_rate': 0.3, 'n_estimators': 50}\n",
      "0.244902714361\n",
      "{'loss': 'lad', 'learning_rate': 0.1, 'n_estimators': 150}\n",
      "0.146879998568\n",
      "{'loss': 'lad', 'learning_rate': 0.3, 'n_estimators': 50}\n",
      "0.101473620008\n"
     ]
    }
   ],
   "source": [
    "grid_search_gb = GridSearchCV(gbr, param_grid_gb, n_jobs=2)\n",
    "for i in range(10):\n",
    "    X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)\n",
    "    grid_search_gb.fit(X_train, y_train)\n",
    "    print(grid_search_gb.best_params_)\n",
    "    print(grid_search_gb.best_score_)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.378124641987\n",
      "0.320703079122\n",
      "0.298549510066\n",
      "0.359048202423\n",
      "0.359516758595\n",
      "0.337642196677\n",
      "0.361787391368\n",
      "0.36261919042\n",
      "0.289487653868\n",
      "0.244583535063\n"
     ]
    }
   ],
   "source": [
    "for i in range(10):\n",
    "    X_train, X_test, y_train, y_test = cross_validation.train_test_split(Xvals, yvals)\n",
    "    gbr = GradientBoostingRegressor(n_estimators=1000, max_depth=7,\n",
    "                                    max_features='log2', learning_rate=0.03)\n",
    "    gbr.fit(X_train, y_train)\n",
    "    print(gbr.score(X_test, y_test))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.34847200126631106"
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "gbr.score(X_test, y_test)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 934,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(2156, 14)"
      ]
     },
     "execution_count": 934,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pandasdata.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 946,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 947,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(2145, 14)"
      ]
     },
     "execution_count": 947,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pandas_clean.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": []
  }
 ],
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