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Page 1
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. Among authors: hersey a. J Cheminform. 2020 Sep 1;12(1):51. doi: 10.1186/s13321-020-00456-1. J Cheminform. 2020. PMID: 33431044 Free PMC article.
A large-scale dataset of in vivo pharmacology assay results.
Hunter FMI, L Atkinson F, Bento AP, Bosc N, Gaulton A, Hersey A, Leach AR. Hunter FMI, et al. Among authors: hersey a. Sci Data. 2018 Oct 23;5:180230. doi: 10.1038/sdata.2018.230. Sci Data. 2018. PMID: 30351302 Free PMC article.
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. Among authors: hersey a. Nucleic Acids Res. 2019 Jan 8;47(D1):D930-D940. doi: 10.1093/nar/gky1075. Nucleic Acids Res. 2019. PMID: 30398643 Free PMC article.
Collation and data-mining of literature bioactivity data for drug discovery.
Bellis LJ, Akhtar R, Al-Lazikani B, Atkinson F, Bento AP, Chambers J, Davies M, Gaulton A, Hersey A, Ikeda K, Krüger FA, Light Y, McGlinchey S, Santos R, Stauch B, Overington JP. Bellis LJ, et al. Among authors: hersey a. Biochem Soc Trans. 2011 Oct;39(5):1365-70. doi: 10.1042/BST0391365. Biochem Soc Trans. 2011. PMID: 21936816
66 results