EMBL-EBI Hinxton, Wellcome Trust Genome Campus , Hinxton, Cambridge CB10 1SD, UNITED KINGDOM

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Publications

Total: 12 publication(s)

2017

Nowotka MM, Gaulton A, Mendez D, Bento AP, Hersey A, Leach A. (2017)

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

Expert Opin Drug Discov 1-11. doi: 10.1080/17460441.2017.1339032
Europe PMC | doi

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. (2017)

The ChEMBL database in 2017.

Nucleic Acids Res. 45(D1):D945-D954. doi: 10.1093/nar/gkw1074
Europe PMC | doi

Koscielny G, An P, Carvalho-Silva D, Cham JA, Fumis L, Gasparyan R, Hasan S, Karamanis N, Maguire M, Papa E, Pierleoni A, Pignatelli M, Platt T, Rowland F, Wankar P, Bento AP, Burdett T, Fabregat A, Forbes S, Gaulton A, Gonzalez CY, Hermjakob H, Hersey A, Jupe S, Kafkas Ş, Keays M, Leroy C, Lopez FJ, Magarinos MP, Malone J, McEntyre J, Munoz-Pomer Fuentes A, O'Donovan C, Papatheodorou I, Parkinson H, Palka B, Paschall J, Petryszak R, Pratanwanich N, Sarntivijal S, Saunders G, Sidiropoulos K, Smith T, Sondka Z, Stegle O, Tang YA, Turner E, Vaughan B, Vrousgou O, Watkins X, Martin MJ, Sanseau P, Vamathevan J, Birney E, Barrett J, Dunham I. (2017)

Open Targets: a platform for therapeutic target identification and validation.

Nucleic Acids Res. 45(D1):D985-D994. doi: 10.1093/nar/gkw1055
Europe PMC | doi

Santos R, Ursu O, Gaulton A, Bento AP, Donadi RS, Bologa CG, Karlsson A, Al-Lazikani B, Hersey A, Oprea TI, Overington JP. (2017)

A comprehensive map of molecular drug targets.

Nat Rev Drug Discov 16(1):19-34. doi: 10.1038/nrd.2016.230
Europe PMC | doi


2016

Mutowo P, Bento AP, Dedman N, Gaulton A, Hersey A, Lomax J, Overington JP. (2016)

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL.

J Biomed Semantics 7(1) doi: 10.1186/s13326-016-0102-0
Europe PMC | doi

Sarntivijai S, Vasant D, Jupp S, Saunders G, Bento AP, Gonzalez D, Betts J, Hasan S, Koscielny G, Dunham I, Parkinson H, Malone J. (2016)

Linking rare and common disease: mapping clinical disease-phenotypes to ontologies in therapeutic target validation

J BIOMED SEMANT 7 doi: 10.1186/s13326-016-0051-7
doi


2015

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. (2015)

A large-scale crop protection bioassay data set.

Sci Data 2:150032. doi: 10.1038/sdata.2015.32
Europe PMC | doi

Hersey A, Chambers J, Bellis L, Patrícia Bento A, Gaulton A, Overington JP. (2015)

Chemical databases: curation or integration by user-defined equivalence?

Drug Discov Today Technol 14:17-24. doi: 10.1016/j.ddtec.2015.01.005
Europe PMC | doi


2014

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. (2014)

The ChEMBL bioactivity database: an update

Nucleic Acids Res. 42(Database issue):D1083-D1090. doi: 10.1093/nar/gkt1031
Europe PMC | doi


2012

Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012)

ChEMBL: a large-scale bioactivity database for drug discovery

Nucleic Acids Res. 40(Database issue):D1100-7. doi: 10.1093/nar/gkr777
Europe PMC | doi


2011

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. (2011)

Collation and data-mining of literature bioactivity data for drug discovery

Biochem. Soc. Trans. 39(5):1365-1370. doi: 10.1042/bst0391365
Europe PMC | doi


2010

Abad-Zapatero C, Perišić O, Wass J, Bento AP, Overington J, Al-Lazikani B, Johnson ME. (2010)

Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation

Drug Discov. Today 15(19-20):804-811. doi: 10.1016/j.drudis.2010.08.004
Europe PMC | doi