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Chemical databases: curation or integration by user-defined equivalence?
Hersey A, Chambers J, Bellis L, Patrícia Bento A, Gaulton A, Overington JP. Hersey A, et al. Among authors: bellis l. Drug Discov Today Technol. 2015 Jul;14:17-24. doi: 10.1016/j.ddtec.2015.01.005. Epub 2015 Mar 11. Drug Discov Today Technol. 2015. PMID: 26194583 Free PMC article. Review.
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. Biochem Soc Trans. 2011 Oct;39(5):1365-70. doi: 10.1042/BST0391365. Biochem Soc Trans. 2011. PMID: 21936816
ChEMBL: a large-scale bioactivity database for drug discovery.
Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. Gaulton A, et al. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23. Nucleic Acids Res. 2012. PMID: 21948594 Free PMC article.
The ChEMBL bioactivity database: an update.
Bento AP, Gaulton A, Hersey A, Bellis LJ, Chambers J, Davies M, Krüger FA, Light Y, Mak L, McGlinchey S, Nowotka M, Papadatos G, Santos R, Overington JP. Bento AP, et al. Among authors: bellis lj. Nucleic Acids Res. 2014 Jan;42(Database issue):D1083-90. doi: 10.1093/nar/gkt1031. Epub 2013 Nov 7. Nucleic Acids Res. 2014. PMID: 24214965 Free PMC article.
ChEMBL web services: streamlining access to drug discovery data and utilities.
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. Davies M, et al. Among authors: bellis l. Nucleic Acids Res. 2015 Jul 1;43(W1):W612-20. doi: 10.1093/nar/gkv352. Epub 2015 Apr 16. Nucleic Acids Res. 2015. PMID: 25883136 Free PMC article.
A large-scale crop protection bioassay data set.
Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. Gaulton A, et al. Sci Data. 2015 Jul 7;2:150032. doi: 10.1038/sdata.2015.32. eCollection 2015. Sci Data. 2015. PMID: 26175909 Free PMC article.
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. Gaulton A, et al. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954. doi: 10.1093/nar/gkw1074. Epub 2016 Nov 28. Nucleic Acids Res. 2017. PMID: 27899562 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.
A framework to assess the quality and impact of bioinformatics training across ELIXIR.
Gurwitz KT, Singh Gaur P, Bellis LJ, Larcombe L, Alloza E, Balint BL, Botzki A, Dimec J, Dominguez Del Angel V, Fernandes PL, Korpelainen E, Krause R, Kuzak M, Le Pera L, Leskošek B, Lindvall JM, Marek D, Martinez PA, Muyldermans T, Nygård S, Palagi PM, Peterson H, Psomopoulos F, Spiwok V, van Gelder CWG, Via A, Vidak M, Wibberg D, Morgan SL, Rustici G. Gurwitz KT, et al. Among authors: bellis lj. PLoS Comput Biol. 2020 Jul 23;16(7):e1007976. doi: 10.1371/journal.pcbi.1007976. eCollection 2020 Jul. PLoS Comput Biol. 2020. PMID: 32702016 Free PMC article.
171 results