/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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