fragment_molecule_with_brics.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit.Chem.BRICS import BRICSDecompose\n",
    "from rdkit.Chem import Draw\n",
    "from rdkit.Chem.Draw import IPythonConsole"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol = Chem.MolFromSmiles('O=c1nc([nH]c2NCC(Nc12)CN(c1ccc(cc1)C(=O)NC(CCC(=O)O)C(=O)O)C=O)N')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x28fdac9e8f0>"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "res = list(BRICSDecompose(mol,returnMols=True))\n",
    "smis = [Chem.MolToSmiles(x,True) for x in res]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['[5*]N[5*]',\n",
       " '[4*]C(CCC(=O)O)C(=O)O',\n",
       " '[5*]N([5*])C=O',\n",
       " '[1*]C([6*])=O',\n",
       " '[16*]c1ccc([16*])cc1',\n",
       " '[4*]C[8*]',\n",
       " '[13*]C1CNc2[nH]c(N)nc(=O)c2N1']"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smis"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=600x600 at 0x28FD9B2BCF8>"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "img = Draw.MolsToGridImage(res)\n",
    "img"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "drugbank_input = Chem.SDMolSupplier('drugbank_approved_structures.sdf')\n",
    "drugbank = [m for m in drugbank_input if m]\n",
    "drugbank_scaffolds_list = [list(BRICSDecompose(mol,returnMols=True)) for mol in drugbank]\n",
    "scaffold_smiles = [Chem.MolToSmiles(scaffold, True) for drugbank_scaffolds in drugbank_scaffolds_list for scaffold in drugbank_scaffolds if scaffold != None]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[('[5*]N[5*]', 12), ('[1*]C([6*])=O', 7), ('[1*]C(=O)[C@@H]([4*])C[8*]', 6), ('[16*]c1ccc(O)cc1', 6), ('[5*]N1CCC[C@H]1[13*]', 5)]\n"
     ]
    }
   ],
   "source": [
    "import collections\n",
    "counter=collections.Counter(scaffold_smiles)\n",
    "print(counter.most_common(5))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=600x200 at 0x28FE9DA10F0>"
      ]
     },
     "execution_count": 29,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "img = Draw.MolsToGridImage([Chem.MolFromSmiles('[16*]c1ccc2ccccc2c1')])\n",
    "img"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "dict_keys(['[5*]N[5*]', '[4*][C@@H](CC(C)C)C(=O)O', '[5*]NC(=N)N', '[1*]C(=O)C[4*]', '[1*]C(=O)[C@@H]([4*])CC(N)=O', '[1*]C(=O)[C@@H]([4*])CC(=O)O', '[1*]C(=O)[C@@H]([4*])CCC(=O)O', '[1*]C(=O)[C@@H]([4*])[C@@H](C)CC', '[1*]C(=O)[C@@H]([4*])CCC[4*]', '[1*]C([6*])=O', '[5*]N1CCC[C@H]1[13*]', '[1*]C(=O)[C@H](N)C[8*]', '[16*]c1ccccc1', '[1*]C(=O)[C@@H]([4*])C[8*]', '[16*]c1ccc(O)cc1', '[4*]C(C)(C)C', '[3*]O[3*]', '[1*]C(=O)[C@@H]([4*])CCCN=C(N)N', '[1*]C(=O)[C@@H]([4*])CC(C)C', '[1*]C(=O)[C@@H]([4*])CO', '[1*]C(=O)[C@H]([4*])C[4*]', '[6*]C(=O)NNC(N)=O', '[13*][C@@H]1CCC(=O)N1', '[14*]c1cnc[nH]1', '[16*]c1c[nH]c2ccccc12', '[5*]NC=O', '[1*]C(=O)[C@@H]([4*])C(C)C', '[4*]CCO', '[1*]C(=O)[C@H]([4*])CC(C)C', '[1*]C(=O)[C@@H]([4*])C', '[1*]C(=O)[C@H]([4*])C(C)C', '[4*]CC(N)=O', '[8*]CC(N)=O', '[8*]CCC(N)=O', '[8*]C[8*]', '[13*][C@@H]1NC(=O)CCSSC[C@@H]([13*])NC(=O)[C@H]([13*])NC(=O)[C@H]([13*])NC(=O)[C@H]([13*])NC1=O', '[1*]C(N)=O', '[1*]C(C)=O', '[4*][C@H](C)C(N)=O', '[1*]C(=O)[C@H]([4*])CCC[4*]', '[1*]C(=O)[C@H]([4*])C[8*]', '[16*]c1ccc2ccccc2c1', '[16*]c1ccc(Cl)cc1', '[16*]c1cccnc1', '[1*]C(=O)CCCCCCCCC', '[16*]c1ccccc1N', '[6*]C(=O)C[8*]', '[8*][C@H](C)CC(=O)O', '[8*]CO', '[8*]CCCN', '[8*]CC(=O)O', '[13*][C@@H]1NC(=O)CNC(=O)[C@@H]([15*])[C@@H](C)OC(=O)[C@H]([13*])NC(=O)[C@H]([13*])NC(=O)[C@@H]([13*])NC(=O)CNC(=O)[C@H]([13*])NC(=O)[C@@H](C)NC(=O)[C@H]([13*])NC1=O', '[7*]CC', '[7*]CC[C@@H](C)[C@H]([8*])O', '[8*]C(C)C', '[8*]CC', '[8*]CC(C)C', '[13*][C@@H]1NC(=O)[C@H]([13*])N(C)C(=O)[C@H]([13*])N(C)C(=O)[C@H]([13*])N(C)C(=O)[C@H]([13*])N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([13*])N(C)C(=O)[C@H]([13*])NC(=O)[C@H]([13*])N(C)C(=O)CN(C)C1=O', '[4*][C@H](CO)[C@@H](C)O', '[8*][C@@H](C)O', '[8*]CCCCN', '[13*][C@@H]1NC(=O)[C@H]([13*])NC(=O)[C@@H]([13*])NC(=O)[C@H]([13*])NC(=O)[C@@H]([15*])CSSC[C@@H]([13*])NC1=O', '[5*]N([5*])C', '[1*]C(=O)[C@H]([4*])CC(N)=O', '[4*]C(C)C', '[1*]C(=O)[C@@H]([4*])CCCC[4*]', '[3*]OP(=O)(O)O', '[4*]C[8*]', '[16*]c1cnc(C)c(O)c1C=O', '[13*][C@H]1O[C@H]2[C@H](O)[C@@H]1OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]1(C)C3=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]9[C@@](C)([C@@H]([C@@H]1[15*])N3[Co-3]579(C#N)[n+]1cn2c2cc(C)c(C)cc21)[C@]([15*])(C)[C@@H]8[15*])[C@]([15*])(C)[C@@H]6[15*])C(C)(C)[C@@H]4[15*]', '[8*]C[C@H](N)C(=O)O', '[8*]C[S+](C)CC[C@H](N)C(=O)[O-]', '[13*][C@@H]1O[C@H]([13*])[C@@H](O)[C@H]1O', '[9*]n1cnc2c(N)ncnc21', 'CC(=O)C(=O)O', '[8*]CCCCC(=O)O', '[13*][C@@H]1SC[C@@H]2NC(=O)N[C@H]12', '[5*][N+](C)(C)C', 'NCCCC[C@H](N)C(=O)O', '[4*]CCC[C@H](N)C(=O)O', '[8*][C@@H](O)CO', '[13*][C@H]1OC(=O)C(O)=C1O', 'N[C@@H](CC(=O)O)C(=O)O', 'NCCC[C@H](N)C(=O)O', 'NC(=O)CC[C@H](N)C(=O)O', '[7*]CCCCCCCCC(=O)O', '[7*]CCC', '[7*]CCC[7*]', 'N[C@@H](CO)C(=O)O', '[11*]SC', '[4*]CC[C@H](N)C(=O)O', '[7*]C1C[C@@H](O)C[C@H](O)C1=C', '[7*]CC[7*]', '[8*][C@H](C)CCCC(C)(C)O', '[7*]C1CCC[C@]2(C)[C@@H]([15*])CC[C@@H]12', '[7*]CC1=C(C)C[C@@H](O)CC1(C)C', '[7*]CC([7*])C', '[7*]C[8*]', '[15*][C@H]1C(C)=C[C@H](O)CC1(C)C', '[4*]C[C@H](N)C(=O)O', '[11*]SS[11*]', 'O=C(O)CCC(=O)O', '[8*]C[C@H](O)[C@H](O)[C@H](O)CO', '[9*]n1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21', '[4*][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO', 'N[C@@H](CCC(=O)O)C(=O)O', '[1*]C(=O)CC[C@H](N)C(=O)O', '[4*]CC(=O)O', '[1*]C(=O)[C@@H]([4*])CS', '[1*]C(=O)CCC', '[1*]C(=O)CC', '[3*]OP(=O)(O)O[3*]', '[4*]CC([4*])C[4*]', 'NCC(=O)O', '[7*]C1C[C@@H](O)CCC1=C', '[5*]N(C)C(=N)N', 'CC(C)C[C@H](N)C(=O)O', 'N[C@@H](CS)C(=O)O', '[8*]CCO', '[16*]c1cnc(C)nc1N', '[8*]C[n+]1csc([14*])c1C', '[7*]C[C@H](C)C(C)C', '[7*]C[C@H]([8*])C', 'C[C@@H](O)[C@H](N)C(=O)O', '[3*]O[P@](=O)(O)O[P@](=O)(O)O[3*]', '[5*]N1C=CCC(C(N)=O)=C1', '[4*][C@@H](CCC(=O)O)C(=O)O', '[16*]c1ccc([16*])cc1', '[14*]c1cnc2[nH]c(N)nc(=O)c2n1', '[7*]CCCCC(=O)O'])\n"
     ]
    }
   ],
   "source": [
    "print(counter.keys())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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   "display_name": "Python 3",
   "language": "python",
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  },
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    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.7.3"
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 },
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