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iwatobipen/datamol_example.ipynb

Created June 26, 2025 12:46
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datamol_example.ipynb
{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"id": "79e38787-9707-4de9-8d8e-fa97f4371eda",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:30.432570Z",
"iopub.status.busy": "2025-06-26T12:36:30.432496Z",
"iopub.status.idle": "2025-06-26T12:36:30.657676Z",
"shell.execute_reply": "2025-06-26T12:36:30.657351Z",
"shell.execute_reply.started": "2025-06-26T12:36:30.432561Z"
}
},
"outputs": [],
"source": [
"import datamol as dm\n",
"import pandas as pd\n",
"import medchem as mc\n",
"from rdkit.Chem.Draw import IPythonConsole\n",
"from rdkit.Chem import PandasTools\n",
"PandasTools.RenderImagesInAllDataFrames(images=True)\n"
]
},
{
"cell_type": "code",
"execution_count": 2,
"id": "37b18ae3-2eb6-40a7-8d4a-1ad971d25cf6",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:30.658081Z",
"iopub.status.busy": "2025-06-26T12:36:30.657964Z",
"iopub.status.idle": "2025-06-26T12:36:30.673963Z",
"shell.execute_reply": "2025-06-26T12:36:30.673703Z",
"shell.execute_reply.started": "2025-06-26T12:36:30.658072Z"
}
},
"outputs": [],
"source": [
"rfilter = mc.rules.RuleFilters(\n",
" # You can specifiy a rule as a string or as a callable\n",
" rule_list=[\"rule_of_five\", \"rule_of_oprea\", \"rule_of_cns\", \"rule_of_leadlike_soft\"],\n",
" # You can specify a custom list of names\n",
" rule_list_names=[\"rule_of_five\", \"rule_of_oprea\", \"rule_of_cns\", \"rule_of_leadlike_soft\"],\n",
")"
]
},
{
"cell_type": "code",
"execution_count": 3,
"id": "d0f9059a-e628-4739-876b-24310c3cc326",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:30.674361Z",
"iopub.status.busy": "2025-06-26T12:36:30.674280Z",
"iopub.status.idle": "2025-06-26T12:36:30.786837Z",
"shell.execute_reply": "2025-06-26T12:36:30.786460Z",
"shell.execute_reply.started": "2025-06-26T12:36:30.674353Z"
}
},
"outputs": [],
"source": [
"data = dm.data.solubility()"
]
},
{
"cell_type": "code",
"execution_count": 4,
"id": "a5c2e94c-e7f2-414b-8351-a48d6d387daf",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:30.787151Z",
"iopub.status.busy": "2025-06-26T12:36:30.787077Z",
"iopub.status.idle": "2025-06-26T12:36:30.798142Z",
"shell.execute_reply": "2025-06-26T12:36:30.797938Z",
"shell.execute_reply.started": "2025-06-26T12:36:30.787143Z"
}
},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\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>mol</th>\n",
" <th>ID</th>\n",
" <th>NAME</th>\n",
" <th>SOL</th>\n",
" <th>SOL_classification</th>\n",
" <th>smiles</th>\n",
" <th>split</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>0</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>1</td>\n",
" <td>n-pentane</td>\n",
" <td>-3.18</td>\n",
" <td>(A) low</td>\n",
" <td>CCCCC</td>\n",
" <td>train</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>2</td>\n",
" <td>cyclopentane</td>\n",
" <td>-2.64</td>\n",
" <td>(B) medium</td>\n",
" <td>C1CCCC1</td>\n",
" <td>train</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"</div>"
],
"text/plain": [
" mol ID NAME SOL \\\n",
"0 <rdkit.Chem.rdchem.Mol object at 0x754c61d50ac0> 1 n-pentane -3.18 \n",
"1 <rdkit.Chem.rdchem.Mol object at 0x754c61d50c80> 2 cyclopentane -2.64 \n",
"\n",
" SOL_classification smiles split \n",
"0 (A) low CCCCC train \n",
"1 (B) medium C1CCCC1 train "
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"data.head(2)"
]
},
{
"cell_type": "code",
"execution_count": 5,
"id": "d8939251-e384-48cc-9c47-a6aaae269613",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:30.798473Z",
"iopub.status.busy": "2025-06-26T12:36:30.798391Z",
"iopub.status.idle": "2025-06-26T12:36:31.886603Z",
"shell.execute_reply": "2025-06-26T12:36:31.886312Z",
"shell.execute_reply.started": "2025-06-26T12:36:30.798466Z"
}
},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "f59192fd8c4d413c8e15f2ac5acec0f0",
"version_major": 2,
"version_minor": 0
},
"text/plain": [
"Filter by rules: 0%| | 0/1282 [00:00<?, ?it/s]"
]
},
"metadata": {},
"output_type": "display_data"
}
],
"source": [
"results = rfilter(\n",
" mols=data[\"mol\"].tolist(),\n",
" n_jobs=-1,\n",
" progress=True,\n",
" progress_leave=True,\n",
" scheduler=\"auto\",\n",
" keep_props=False,\n",
" fail_if_invalid=True,\n",
")"
]
},
{
"cell_type": "code",
"execution_count": 6,
"id": "e480abb9-1fc9-43e9-9d8c-cb72eaebb8d9",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:31.887467Z",
"iopub.status.busy": "2025-06-26T12:36:31.887357Z",
"iopub.status.idle": "2025-06-26T12:36:31.917442Z",
"shell.execute_reply": "2025-06-26T12:36:31.917210Z",
"shell.execute_reply.started": "2025-06-26T12:36:31.887457Z"
}
},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\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>mol</th>\n",
" <th>pass_all</th>\n",
" <th>pass_any</th>\n",
" <th>rule_of_five</th>\n",
" <th>rule_of_oprea</th>\n",
" <th>rule_of_cns</th>\n",
" <th>rule_of_leadlike_soft</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>0</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>2</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>3</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</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",
" </tr>\n",
" <tr>\n",
" <th>1277</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1278</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1279</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1280</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1281</th>\n",
" <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" <td>False</td>\n",
" <td>True</td>\n",
" <td>False</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"<p>1282 rows × 7 columns</p>\n",
"</div>"
],
"text/plain": [
" mol pass_all pass_any \\\n",
"0 <rdkit.Chem.rdchem.Mol object at 0x754c6102d4e0> False True \n",
"1 <rdkit.Chem.rdchem.Mol object at 0x754c61051530> False True \n",
"2 <rdkit.Chem.rdchem.Mol object at 0x754c610322a0> False True \n",
"3 <rdkit.Chem.rdchem.Mol object at 0x754c60fd9490> False True \n",
"4 <rdkit.Chem.rdchem.Mol object at 0x754c6102db70> False True \n",
"... ... ... ... \n",
"1277 <rdkit.Chem.rdchem.Mol object at 0x754c60534860> False True \n",
"1278 <rdkit.Chem.rdchem.Mol object at 0x754c60624ae0> False True \n",
"1279 <rdkit.Chem.rdchem.Mol object at 0x754c60394d60> False False \n",
"1280 <rdkit.Chem.rdchem.Mol object at 0x754c606e84f0> False True \n",
"1281 <rdkit.Chem.rdchem.Mol object at 0x754c6046c950> False True \n",
"\n",
" rule_of_five rule_of_oprea rule_of_cns rule_of_leadlike_soft \n",
"0 True False False False \n",
"1 True False False False \n",
"2 True False False False \n",
"3 True False False False \n",
"4 True False False False \n",
"... ... ... ... ... \n",
"1277 True False True False \n",
"1278 True True False False \n",
"1279 False False False False \n",
"1280 True False True False \n",
"1281 False False True False \n",
"\n",
"[1282 rows x 7 columns]"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"results"
]
},
{
"cell_type": "code",
"execution_count": 7,
"id": "f857af31-d4e5-40ce-b529-6e8d842c3737",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:31.917809Z",
"iopub.status.busy": "2025-06-26T12:36:31.917720Z",
"iopub.status.idle": "2025-06-26T12:36:32.040660Z",
"shell.execute_reply": "2025-06-26T12:36:32.040358Z",
"shell.execute_reply.started": "2025-06-26T12:36:31.917800Z"
}
},
"outputs": [
{
"name": "stderr",
"output_type": "stream",
"text": [
"<frozen importlib._bootstrap>:241: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.\n"
]
}
],
"source": [
"data = dm.data.cdk2()\n",
"out = mc.functional.lilly_demerit_filter(\n",
" mols = data['mol'].to_list(),\n",
" n_jobs=-1,\n",
" progress=True,\n",
" return_idx=False\n",
")"
]
},
{
"cell_type": "code",
"execution_count": 8,
"id": "bd2cd3d1-a9a3-4986-8439-658887246dfa",
"metadata": {
"execution": {
"iopub.execute_input": "2025-06-26T12:36:32.040946Z",
"iopub.status.busy": "2025-06-26T12:36:32.040867Z",
"iopub.status.idle": "2025-06-26T12:36:32.171917Z",
"shell.execute_reply": "2025-06-26T12:36:32.171568Z",
"shell.execute_reply.started": "2025-06-26T12:36:32.040938Z"
}
},
"outputs": [
{
"data": {
"image/svg+xml": [
"<svg xmlns=\"http://www.w3.org/2000/svg\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:xlink=\"http://www.w3.org/1999/xlink\" version=\"1.1\" baseProfile=\"full\" xml:space=\"preserve\" width=\"1000px\" height=\"1200px\" viewBox=\"0 0 1000 1200\">\n",
"<!-- END OF HEADER -->\n",
"<rect style=\"opacity:1.0;fill:#FFFFFF;stroke:none\" width=\"250.0\" height=\"150.0\" x=\"0.0\" y=\"0.0\"> </rect>\n",
"<path class=\"bond-0 atom-0 atom-1\" d=\"M 183.0,79.0 L 169.4,69.7\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
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"<path class=\"legend\" d=\"M 898.4 1182.6 L 898.6 1183.7 Q 899.3 1182.5, 900.6 1182.5 Q 901.1 1182.5, 901.6 1182.6 L 901.4 1183.9 Q 900.8 1183.7, 900.4 1183.7 Q 899.8 1183.7, 899.4 1184.0 Q 899.0 1184.2, 898.7 1184.8 L 898.7 1190.2 L 897.3 1190.2 L 897.3 1182.6 L 898.4 1182.6 \" fill=\"#000000\"/>\n",
"<path class=\"legend\" d=\"M 902.3 1183.8 L 909.1 1183.8 L 909.1 1184.9 L 902.3 1184.9 L 902.3 1183.8 M 902.3 1186.9 L 909.1 1186.9 L 909.1 1188.0 L 902.3 1188.0 L 902.3 1186.9 \" fill=\"#000000\"/>\n",
"<path class=\"legend\" d=\"M 914.1 1180.9 L 910.9 1180.9 L 910.9 1179.8 L 918.6 1179.8 L 918.6 1180.9 L 915.6 1180.9 L 915.6 1190.2 L 914.1 1190.2 L 914.1 1180.9 \" fill=\"#000000\"/>\n",
"<path class=\"legend\" d=\"M 920.2 1182.6 L 920.4 1183.7 Q 921.2 1182.5, 922.5 1182.5 Q 922.9 1182.5, 923.4 1182.6 L 923.2 1183.9 Q 922.6 1183.7, 922.2 1183.7 Q 921.6 1183.7, 921.2 1184.0 Q 920.8 1184.2, 920.5 1184.8 L 920.5 1190.2 L 919.1 1190.2 L 919.1 1182.6 L 920.2 1182.6 \" fill=\"#000000\"/>\n",
"<path class=\"legend\" d=\"M 930.6 1182.6 L 930.6 1190.2 L 929.5 1190.2 L 929.3 1189.2 Q 928.3 1190.3, 926.7 1190.3 Q 925.5 1190.3, 924.8 1189.7 Q 924.2 1189.0, 924.2 1187.6 L 924.2 1182.6 L 925.5 1182.6 L 925.5 1187.5 Q 925.5 1188.4, 925.9 1188.8 Q 926.2 1189.2, 927.0 1189.2 Q 927.7 1189.2, 928.3 1188.9 Q 928.8 1188.6, 929.2 1188.0 L 929.2 1182.6 L 930.6 1182.6 \" fill=\"#000000\"/>\n",
"<path class=\"legend\" d=\"M 932.3 1186.4 Q 932.3 1184.5, 933.2 1183.5 Q 934.2 1182.5, 935.8 1182.5 Q 937.5 1182.5, 938.3 1183.5 Q 939.0 1184.5, 939.0 1186.4 L 939.0 1186.6 L 933.7 1186.6 Q 933.7 1187.9, 934.3 1188.6 Q 934.9 1189.2, 936.0 1189.2 Q 936.6 1189.2, 937.1 1189.1 Q 937.6 1188.9, 938.3 1188.7 L 938.7 1189.6 Q 938.0 1190.0, 937.3 1190.2 Q 936.6 1190.3, 935.9 1190.3 Q 934.2 1190.3, 933.2 1189.3 Q 932.3 1188.3, 932.3 1186.4 M 935.8 1183.6 Q 935.0 1183.6, 934.4 1184.1 Q 933.9 1184.6, 933.8 1185.6 L 937.5 1185.6 Q 937.4 1184.5, 937.0 1184.1 Q 936.6 1183.6, 935.8 1183.6 \" fill=\"#000000\"/>\n",
"</svg>"
],
"text/plain": [
"<IPython.core.display.SVG object>"
]
},
"execution_count": 8,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"legends = [f\"Pass the filter={o}\" for o in out]\n",
"dm.to_image(data[\"mol\"].tolist(), legends=legends, n_cols=4, mol_size=(250, 150))\n"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "68a09af0-722c-4bf4-9b3c-4b78c9b16a99",
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 3
},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.12"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
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