An open source chemical structure curation pipeline using RDKit
A. Patrícia Bento(European Bioinformatics Institute), Andrew R. Leach(LifeArc), Louisa J. Bellis(European Bioinformatics Institute), Eloy Félix(European Bioinformatics Institute), Anne Hersey(European Bioinformatics Institute), Anna Gaulton(European Bioinformatics Institute), Gregory A. Landrum(ETH Zurich), Marleen De Veij(European Bioinformatics Institute), Francis Atkinson(European Bioinformatics Institute)
Cited by 761
Related Papers
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
|Journal of Molecular Biology|1997|6.7k
ChEMBL: towards direct deposition of bioassay data
|Nucleic Acids Research|2018|2.5k
The ChEMBL database in 2017
|Nucleic Acids Research|2016|2.4k
Molecular Modelling: Principles and Applications
|Unknown|1996|1.9k
An analysis of the attrition of drug candidates from four major pharmaceutical companies
|Nature Reviews Drug Discovery|2015|1.4k