The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.

Nucleic Acids Res, 2024

doi:10.1093/nar/gkad1004.

MAIP: A web service for predicting blood-stage malaria inhibitors

Bosc N, Felix E, Arcila R, Mendez D, Saunders M, Green D, Ochoada J, Shelat A, Martin E, Iyer P, Engkvist O, Verras A, Duffy J, Burrows J, Gardner M, Leach A.

2020

doi:10.21203/rs.3.rs-41814/v2.

ChEMBL: towards direct deposition of bioassay data.

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR.

Nucleic Acids Res, 2019

doi:10.1093/nar/gky1075.

Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.

Nowotka MM, Gaulton A, Mendez D, Bento AP, Hersey A, Leach A.

Expert Opin Drug Discov, 2017

doi:10.1080/17460441.2017.1339032.

The ChEMBL database in 2017.

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR.

Nucleic Acids Res, 2017

doi:10.1093/nar/gkw1074.