Drug-combination-synergy/DrugCombPred.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "7068baf6",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "         drug1    drug2\n",
      "0      DB00862  DB00966\n",
      "1      DB00575  DB00806\n",
      "2      DB01242  DB08893\n",
      "3      DB01151  DB08883\n",
      "4      DB01235  DB01275\n",
      "...        ...      ...\n",
      "48509  DB00542  DB01354\n",
      "48510  DB00476  DB01239\n",
      "48511  DB00621  DB01120\n",
      "48512  DB00808  DB01356\n",
      "48513  DB00677  DB06287\n",
      "\n",
      "[48514 rows x 2 columns]\n"
     ]
    }
   ],
   "source": [
    "import pandas as pd\n",
    " \n",
    "drug_interactions_df = pd.read_csv('Dataset\\DDI\\SNAP Stanford\\ChCh-Miner_durgbank-chem-chem.tsv', sep='\\t')\n",
    " \n",
    "# printing data\n",
    "print(drug_interactions_df)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "c6abb956",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1317"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# number of drugs in the dataset\n",
    "len(drug_interactions_df['drug1'].unique())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "6cfd6019",
   "metadata": {},
   "outputs": [],
   "source": [
    "import xml.etree.ElementTree as ET"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "e6c9e0b2",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "<Element '{http://www.drugbank.ca}drugbank' at 0x000002369F945090>\n"
     ]
    }
   ],
   "source": [
    "tree = ET.parse('Dataset\\DDI\\DrugBank\\\\full_database.xml') \n",
    "\n",
    "# get the parent tag \n",
    "root = tree.getroot() \n",
    "\n",
    "# print the root (parent) tag along with its memory location \n",
    "print(root) \n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "id": "12ada46d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "xml.etree.ElementTree.Element"
      ]
     },
     "execution_count": 35,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "type(root)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "06f2c07d",
   "metadata": {},
   "outputs": [],
   "source": [
    "ddi = pd.read_xml('Dataset\\DDI\\DrugBank\\\\full_database.xml')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "582cc9b6",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "\n",
       "    .dataframe tbody tr th {\n",
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       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>type</th>\n",
       "      <th>created</th>\n",
       "      <th>updated</th>\n",
       "      <th>{http://www.drugbank.ca}drugbank-id</th>\n",
       "      <th>{http://www.drugbank.ca}name</th>\n",
       "      <th>{http://www.drugbank.ca}description</th>\n",
       "      <th>{http://www.drugbank.ca}cas-number</th>\n",
       "      <th>{http://www.drugbank.ca}unii</th>\n",
       "      <th>{http://www.drugbank.ca}state</th>\n",
       "      <th>{http://www.drugbank.ca}groups</th>\n",
       "      <th>...</th>\n",
       "      <th>{http://www.drugbank.ca}reactions</th>\n",
       "      <th>{http://www.drugbank.ca}snp-effects</th>\n",
       "      <th>{http://www.drugbank.ca}snp-adverse-drug-reactions</th>\n",
       "      <th>{http://www.drugbank.ca}targets</th>\n",
       "      <th>{http://www.drugbank.ca}enzymes</th>\n",
       "      <th>{http://www.drugbank.ca}carriers</th>\n",
       "      <th>{http://www.drugbank.ca}transporters</th>\n",
       "      <th>{http://www.drugbank.ca}average-mass</th>\n",
       "      <th>{http://www.drugbank.ca}monoisotopic-mass</th>\n",
       "      <th>{http://www.drugbank.ca}calculated-properties</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-10-03</td>\n",
       "      <td>BIOD00024</td>\n",
       "      <td>Lepirudin</td>\n",
       "      <td>Lepirudin is identical to natural hirudin exce...</td>\n",
       "      <td>138068-37-8</td>\n",
       "      <td>Y43GF64R34</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
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       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2022-01-02</td>\n",
       "      <td>BIOD00071</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>Cetuximab is a recombinant chimeric human/mous...</td>\n",
       "      <td>205923-56-4</td>\n",
       "      <td>PQX0D8J21J</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
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       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2022-01-02</td>\n",
       "      <td>BIOD00001</td>\n",
       "      <td>Dornase alfa</td>\n",
       "      <td>Dornase alfa is a biosynthetic form of human d...</td>\n",
       "      <td>143831-71-4</td>\n",
       "      <td>953A26OA1Y</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-10-03</td>\n",
       "      <td>BIOD00084</td>\n",
       "      <td>Denileukin diftitox</td>\n",
       "      <td>A recombinant DNA-derived cytotoxic protein co...</td>\n",
       "      <td>173146-27-5</td>\n",
       "      <td>25E79B5CTM</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2022-01-02</td>\n",
       "      <td>BIOD00052</td>\n",
       "      <td>Etanercept</td>\n",
       "      <td>Dimeric fusion protein consisting of the extra...</td>\n",
       "      <td>185243-69-0</td>\n",
       "      <td>OP401G7OJC</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</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",
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       "      <td>...</td>\n",
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       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14589</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2021-12-02</td>\n",
       "      <td>2021-12-03</td>\n",
       "      <td>DB16742</td>\n",
       "      <td>RP-67580</td>\n",
       "      <td>None</td>\n",
       "      <td>135911-02-3</td>\n",
       "      <td>49U9M41BGY</td>\n",
       "      <td>None</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14590</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2021-12-02</td>\n",
       "      <td>2021-12-03</td>\n",
       "      <td>DB16743</td>\n",
       "      <td>Nolpitantium chloride</td>\n",
       "      <td>None</td>\n",
       "      <td>153050-21-6</td>\n",
       "      <td>22O6XI63E0</td>\n",
       "      <td>None</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14591</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2021-12-02</td>\n",
       "      <td>2021-12-03</td>\n",
       "      <td>DB16744</td>\n",
       "      <td>CP-96345</td>\n",
       "      <td>None</td>\n",
       "      <td>132746-60-2</td>\n",
       "      <td>W22ILA2I52</td>\n",
       "      <td>None</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14592</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2021-12-02</td>\n",
       "      <td>2021-12-03</td>\n",
       "      <td>DB16745</td>\n",
       "      <td>PXT 3003</td>\n",
       "      <td>PXT 3003 is in phase 3 clinical trials for the...</td>\n",
       "      <td>1467047-91-1</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>353.466</td>\n",
       "      <td>353.210327</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14593</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2021-12-20</td>\n",
       "      <td>2021-12-24</td>\n",
       "      <td>DB16746</td>\n",
       "      <td>Elivaldogene autotemcel</td>\n",
       "      <td>Adrenoleukodystrophy (ALD) is an X-linked gene...</td>\n",
       "      <td>None</td>\n",
       "      <td>KUM75TD6SG</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>14594 rows × 58 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                 type     created     updated  \\\n",
       "0             biotech  2005-06-13  2021-10-03   \n",
       "1             biotech  2005-06-13  2022-01-02   \n",
       "2             biotech  2005-06-13  2022-01-02   \n",
       "3             biotech  2005-06-13  2021-10-03   \n",
       "4             biotech  2005-06-13  2022-01-02   \n",
       "...               ...         ...         ...   \n",
       "14589  small molecule  2021-12-02  2021-12-03   \n",
       "14590  small molecule  2021-12-02  2021-12-03   \n",
       "14591  small molecule  2021-12-02  2021-12-03   \n",
       "14592  small molecule  2021-12-02  2021-12-03   \n",
       "14593         biotech  2021-12-20  2021-12-24   \n",
       "\n",
       "      {http://www.drugbank.ca}drugbank-id {http://www.drugbank.ca}name  \\\n",
       "0                               BIOD00024                    Lepirudin   \n",
       "1                               BIOD00071                    Cetuximab   \n",
       "2                               BIOD00001                 Dornase alfa   \n",
       "3                               BIOD00084          Denileukin diftitox   \n",
       "4                               BIOD00052                   Etanercept   \n",
       "...                                   ...                          ...   \n",
       "14589                             DB16742                     RP-67580   \n",
       "14590                             DB16743        Nolpitantium chloride   \n",
       "14591                             DB16744                     CP-96345   \n",
       "14592                             DB16745                     PXT 3003   \n",
       "14593                             DB16746      Elivaldogene autotemcel   \n",
       "\n",
       "                     {http://www.drugbank.ca}description  \\\n",
       "0      Lepirudin is identical to natural hirudin exce...   \n",
       "1      Cetuximab is a recombinant chimeric human/mous...   \n",
       "2      Dornase alfa is a biosynthetic form of human d...   \n",
       "3      A recombinant DNA-derived cytotoxic protein co...   \n",
       "4      Dimeric fusion protein consisting of the extra...   \n",
       "...                                                  ...   \n",
       "14589                                               None   \n",
       "14590                                               None   \n",
       "14591                                               None   \n",
       "14592  PXT 3003 is in phase 3 clinical trials for the...   \n",
       "14593  Adrenoleukodystrophy (ALD) is an X-linked gene...   \n",
       "\n",
       "      {http://www.drugbank.ca}cas-number {http://www.drugbank.ca}unii  \\\n",
       "0                            138068-37-8                   Y43GF64R34   \n",
       "1                            205923-56-4                   PQX0D8J21J   \n",
       "2                            143831-71-4                   953A26OA1Y   \n",
       "3                            173146-27-5                   25E79B5CTM   \n",
       "4                            185243-69-0                   OP401G7OJC   \n",
       "...                                  ...                          ...   \n",
       "14589                        135911-02-3                   49U9M41BGY   \n",
       "14590                        153050-21-6                   22O6XI63E0   \n",
       "14591                        132746-60-2                   W22ILA2I52   \n",
       "14592                       1467047-91-1                         None   \n",
       "14593                               None                   KUM75TD6SG   \n",
       "\n",
       "      {http://www.drugbank.ca}state  {http://www.drugbank.ca}groups  ...  \\\n",
       "0                            liquid                             NaN  ...   \n",
       "1                            liquid                             NaN  ...   \n",
       "2                            liquid                             NaN  ...   \n",
       "3                            liquid                             NaN  ...   \n",
       "4                            liquid                             NaN  ...   \n",
       "...                             ...                             ...  ...   \n",
       "14589                          None                             NaN  ...   \n",
       "14590                          None                             NaN  ...   \n",
       "14591                          None                             NaN  ...   \n",
       "14592                          None                             NaN  ...   \n",
       "14593                        liquid                             NaN  ...   \n",
       "\n",
       "       {http://www.drugbank.ca}reactions {http://www.drugbank.ca}snp-effects  \\\n",
       "0                                    NaN                                 NaN   \n",
       "1                                    NaN                                 NaN   \n",
       "2                                    NaN                                 NaN   \n",
       "3                                    NaN                                 NaN   \n",
       "4                                    NaN                                 NaN   \n",
       "...                                  ...                                 ...   \n",
       "14589                                NaN                                 NaN   \n",
       "14590                                NaN                                 NaN   \n",
       "14591                                NaN                                 NaN   \n",
       "14592                                NaN                                 NaN   \n",
       "14593                                NaN                                 NaN   \n",
       "\n",
       "      {http://www.drugbank.ca}snp-adverse-drug-reactions  \\\n",
       "0                                                    NaN   \n",
       "1                                                    NaN   \n",
       "2                                                    NaN   \n",
       "3                                                    NaN   \n",
       "4                                                    NaN   \n",
       "...                                                  ...   \n",
       "14589                                                NaN   \n",
       "14590                                                NaN   \n",
       "14591                                                NaN   \n",
       "14592                                                NaN   \n",
       "14593                                                NaN   \n",
       "\n",
       "      {http://www.drugbank.ca}targets {http://www.drugbank.ca}enzymes  \\\n",
       "0                                 NaN                             NaN   \n",
       "1                                 NaN                             NaN   \n",
       "2                                 NaN                             NaN   \n",
       "3                                 NaN                             NaN   \n",
       "4                                 NaN                             NaN   \n",
       "...                               ...                             ...   \n",
       "14589                             NaN                             NaN   \n",
       "14590                             NaN                             NaN   \n",
       "14591                             NaN                             NaN   \n",
       "14592                             NaN                             NaN   \n",
       "14593                             NaN                             NaN   \n",
       "\n",
       "      {http://www.drugbank.ca}carriers {http://www.drugbank.ca}transporters  \\\n",
       "0                                  NaN                                  NaN   \n",
       "1                                  NaN                                  NaN   \n",
       "2                                  NaN                                  NaN   \n",
       "3                                  NaN                                  NaN   \n",
       "4                                  NaN                                  NaN   \n",
       "...                                ...                                  ...   \n",
       "14589                              NaN                                  NaN   \n",
       "14590                              NaN                                  NaN   \n",
       "14591                              NaN                                  NaN   \n",
       "14592                              NaN                                  NaN   \n",
       "14593                              NaN                                  NaN   \n",
       "\n",
       "      {http://www.drugbank.ca}average-mass  \\\n",
       "0                                      NaN   \n",
       "1                                      NaN   \n",
       "2                                      NaN   \n",
       "3                                      NaN   \n",
       "4                                      NaN   \n",
       "...                                    ...   \n",
       "14589                                  NaN   \n",
       "14590                                  NaN   \n",
       "14591                                  NaN   \n",
       "14592                              353.466   \n",
       "14593                                  NaN   \n",
       "\n",
       "      {http://www.drugbank.ca}monoisotopic-mass  \\\n",
       "0                                           NaN   \n",
       "1                                           NaN   \n",
       "2                                           NaN   \n",
       "3                                           NaN   \n",
       "4                                           NaN   \n",
       "...                                         ...   \n",
       "14589                                       NaN   \n",
       "14590                                       NaN   \n",
       "14591                                       NaN   \n",
       "14592                                353.210327   \n",
       "14593                                       NaN   \n",
       "\n",
       "      {http://www.drugbank.ca}calculated-properties  \n",
       "0                                               NaN  \n",
       "1                                               NaN  \n",
       "2                                               NaN  \n",
       "3                                               NaN  \n",
       "4                                               NaN  \n",
       "...                                             ...  \n",
       "14589                                           NaN  \n",
       "14590                                           NaN  \n",
       "14591                                           NaN  \n",
       "14592                                           NaN  \n",
       "14593                                           NaN  \n",
       "\n",
       "[14594 rows x 58 columns]"
      ]
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     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
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    "ddi"
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  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "979b2c1c",
   "metadata": {},
   "outputs": [
    {
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       "      <th></th>\n",
       "      <th>type</th>\n",
       "      <th>created</th>\n",
       "      <th>updated</th>\n",
       "      <th>{http://www.drugbank.ca}drugbank-id</th>\n",
       "      <th>{http://www.drugbank.ca}name</th>\n",
       "      <th>{http://www.drugbank.ca}description</th>\n",
       "      <th>{http://www.drugbank.ca}cas-number</th>\n",
       "      <th>{http://www.drugbank.ca}unii</th>\n",
       "      <th>{http://www.drugbank.ca}state</th>\n",
       "      <th>{http://www.drugbank.ca}groups</th>\n",
       "      <th>...</th>\n",
       "      <th>{http://www.drugbank.ca}reactions</th>\n",
       "      <th>{http://www.drugbank.ca}snp-effects</th>\n",
       "      <th>{http://www.drugbank.ca}snp-adverse-drug-reactions</th>\n",
       "      <th>{http://www.drugbank.ca}targets</th>\n",
       "      <th>{http://www.drugbank.ca}enzymes</th>\n",
       "      <th>{http://www.drugbank.ca}carriers</th>\n",
       "      <th>{http://www.drugbank.ca}transporters</th>\n",
       "      <th>{http://www.drugbank.ca}average-mass</th>\n",
       "      <th>{http://www.drugbank.ca}monoisotopic-mass</th>\n",
       "      <th>{http://www.drugbank.ca}calculated-properties</th>\n",
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       "Columns: [type, created, updated, {http://www.drugbank.ca}drugbank-id, {http://www.drugbank.ca}name, {http://www.drugbank.ca}description, {http://www.drugbank.ca}cas-number, {http://www.drugbank.ca}unii, {http://www.drugbank.ca}state, {http://www.drugbank.ca}groups, {http://www.drugbank.ca}general-references, {http://www.drugbank.ca}synthesis-reference, {http://www.drugbank.ca}indication, {http://www.drugbank.ca}pharmacodynamics, {http://www.drugbank.ca}mechanism-of-action, {http://www.drugbank.ca}toxicity, {http://www.drugbank.ca}metabolism, {http://www.drugbank.ca}absorption, {http://www.drugbank.ca}half-life, {http://www.drugbank.ca}protein-binding, {http://www.drugbank.ca}route-of-elimination, {http://www.drugbank.ca}volume-of-distribution, {http://www.drugbank.ca}clearance, {http://www.drugbank.ca}classification, {http://www.drugbank.ca}salts, {http://www.drugbank.ca}synonyms, {http://www.drugbank.ca}products, {http://www.drugbank.ca}international-brands, {http://www.drugbank.ca}mixtures, {http://www.drugbank.ca}packagers, {http://www.drugbank.ca}manufacturers, {http://www.drugbank.ca}prices, {http://www.drugbank.ca}categories, {http://www.drugbank.ca}affected-organisms, {http://www.drugbank.ca}dosages, {http://www.drugbank.ca}atc-codes, {http://www.drugbank.ca}ahfs-codes, {http://www.drugbank.ca}pdb-entries, {http://www.drugbank.ca}fda-label, {http://www.drugbank.ca}msds, {http://www.drugbank.ca}patents, {http://www.drugbank.ca}food-interactions, {http://www.drugbank.ca}drug-interactions, {http://www.drugbank.ca}sequences, {http://www.drugbank.ca}experimental-properties, {http://www.drugbank.ca}external-identifiers, {http://www.drugbank.ca}external-links, {http://www.drugbank.ca}pathways, {http://www.drugbank.ca}reactions, {http://www.drugbank.ca}snp-effects, {http://www.drugbank.ca}snp-adverse-drug-reactions, {http://www.drugbank.ca}targets, {http://www.drugbank.ca}enzymes, {http://www.drugbank.ca}carriers, {http://www.drugbank.ca}transporters, {http://www.drugbank.ca}average-mass, {http://www.drugbank.ca}monoisotopic-mass, {http://www.drugbank.ca}calculated-properties]\n",
       "Index: []\n",
       "\n",
       "[0 rows x 58 columns]"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ddi.loc[ddi['{http://www.drugbank.ca}reactions'].notnull()]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "0692fe4e",
   "metadata": {},
   "outputs": [],
   "source": []
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   "cell_type": "code",
   "execution_count": null,
   "id": "a0612d0e",
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