Philippe Schwaller, Teodoro Laino, Théophile Gaudin, Peter Bolgar, Christopher A. Hunter, Costas Bekas, and Alpha A. Lee
ACS Central Science 2019 5 (9), 1572-1583
DOI: 10.1021/acscentsci.9b00576
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology. M.K. Gilson, T. Liu, M. Baitaluk, G. Nicola, L. Hwang and J. Chong Nucleic Acids Research 44:D0145-D1053, doi: 10.1093/nar/gkv1072
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. The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res. 2024 Jan 5;52(D1):D1180-D1192.
doi: 10.1093/nar/gkad1004. PMID: 37933841; PMCID: PMC10767899.
RDKit: Open-source cheminformatics. https://www.rdkit.org