期刊
NUCLEIC ACIDS RESEARCH
卷 45, 期 D1, 页码 D945-D954出版社
OXFORD UNIV PRESS
DOI: 10.1093/nar/gkw1074
关键词
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资金
- Strategic Awards from the Wellcome Trust [WT086151/Z/08/Z, WT104104/Z/14/Z]
- Member States of the European Molecular Biology Laboratory (EMBL)
- Innovative Medicines Initiative Joint Undertaking [115191]
- National Institutes of Health (NIH) Common Fund [U54CA189205]
- European Union Seventh Framework Programme (FP7) [602156]
- Wellcome Trust
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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