A new ChEMBL dataset for FastTargetPred

Published: 1 February 2022| Version 1 | DOI: 10.17632/9t5zdgs3s2.1
Contributor:
Bruno Villoutreix

Description

A ChEMBL-v29 dataset was generated to be used with the ligand-based similarity search target prediction engine FastTargetPred (https://github.com/ludovicchaput/FastTargetPred). Using this new dataset, attempts to predict macromolecular targets for a published dataset of 160,000 tetrapeptides was performed.

Files

Institutions

INSERM

Categories

Drug Discovery

License