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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. Mendez D, et al. Nucleic Acids Res. 2019 Jan 8;47(D1):D930-D940. doi: 10.1093/nar/gky1075. Nucleic Acids Res. 2019. PMID: 30398643 Free PMC article.
An open source chemical structure curation pipeline using RDKit.
Bento AP, Hersey A, Félix E, Landrum G, Gaulton A, Atkinson F, Bellis LJ, De Veij M, Leach AR. Bento AP, et al. J Cheminform. 2020 Sep 1;12(1):51. doi: 10.1186/s13321-020-00456-1. J Cheminform. 2020. PMID: 33431044 Free PMC article.
Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions.
Tang J, Tanoli ZU, Ravikumar B, Alam Z, Rebane A, Vähä-Koskela M, Peddinti G, van Adrichem AJ, Wakkinen J, Jaiswal A, Karjalainen E, Gautam P, He L, Parri E, Khan S, Gupta A, Ali M, Yetukuri L, Gustavsson AL, Seashore-Ludlow B, Hersey A, Leach AR, Overington JP, Repasky G, Wennerberg K, Aittokallio T. Tang J, et al. Cell Chem Biol. 2018 Feb 15;25(2):224-229.e2. doi: 10.1016/j.chembiol.2017.11.009. Epub 2017 Dec 21. Cell Chem Biol. 2018. PMID: 29276046 Free PMC article.