/tools/compound_target_pairs_dataset
compound_target_pairs_dataset
chembl/compound_target_pairs_dataset
21 stars1 forksPythonAdded February 5, 2026
summary
This repository contains code for automatically extracting a dataset of interacting compound-target pairs from the ChEMBL database. It enables researchers to analyze drug-target interactions and supports future analyses in drug discovery.
description
Automatic extraction of interacting compound-target pairs from ChEMBL.
topics
chemblcheminformaticschemistrychemoinformaticsdatasetdrug-target-interactionsdrug-targetspython
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