Published February 28, 2024 | Version v0.0.1
Software Open

A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds (Code)

Creators

  • 1. ROR icon European Bioinformatics Institute
  • 2. Max Planck Institute of Molecular Physiology

Description

Code to extract a dataset of interacting compound-target pairs from the open-source bioactivity database ChEMBL.

Files

chembl/compound_target_pairs_dataset-v0.0.1.zip

Files (61.8 kB)

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md5:2f2fbddcd8985d8b057aea90c213ab0f
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Additional details

Related works

Is source of
Dataset: 10.5281/zenodo.10721938 (DOI)
Is supplement to
Software: https://github.com/chembl/compound_target_pairs_dataset/tree/v0.0.1 (URL)

Software

Repository URL
https://github.com/chembl/compound_target_pairs_dataset
Programming language
Python