The ChEMBL database in 2017

Clicks: 2
ID: 290763
2016
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Abstract
ChEMBL is an open large-scale bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012 and 2014 Nucleic Acids Research Database Issues. Since then, alongside the continued extraction of data from the medicinal chemistry literature, new sources of bioactivity data have also been added to the database. These include: deposited data sets from neglected disease screening; crop protection data; drug metabolism and disposition data and bioactivity data from patents. A number of improvements and new features have also been incorporated. These include the annotation of assays and targets using ontologies, the inclusion of targets and indications for clinical candidates, addition of metabolic pathways for drugs and calculation of structural alerts. The ChEMBL data can be accessed via a web-interface, RDF distribution, data downloads and RESTful web-services.
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openalex_W2558999090 Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Anna Gaulton, Anne Hersey, Michał Nowotka, A. Patrícia Bento, Jon Chambers, David Méndez, Prudence Mutowo, Francis Atkinson, Louisa J. Bellis, Elena Cibrián–Uhalte, Mark Davies, Nathan Dedman, Anneli Karlsson, María Paula Magariños, John P. Overington, George Papadatos, Ines Smit, Andrew R. Leach
Journal Nucleic Acids Research
Year 2016
DOI
10.1093/nar/gkw1074
URL
https://academic.oup.com/nar/article-pdf/45/D1/D945/8846762/gkw1074.pdf
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