Nucleic Acids Research · 2013 · 1.5K citations · 33 references
PharmacyBioinformaticsMedicinal ChemistryDrug DesignDrug DiscoveryStructure-activity RelationshipsDrug DatabasesDrug Discovery InformaticsDrug Information ResourcesDrug Knowledge RepresentationDrug Target InformaticsStructure-activity Relationship AnalysisBioactivityBioactivity DatabasesCompound - Target Interaction DatabasesDrug Knowledge BasesResource Description FrameworkResource Description LanguagesStructure - Activity Relationship DatabasesWeb Services
ChEMBL is an open large-scale bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012 Nucleic Acids Research Database Issue. Since then, a variety of new data sources and improvements in functionality have contributed to the growth and utility of the resource. In particular, more comprehensive tracking of compounds from research stages through clinical development to market is provided through the inclusion of data from United States Adopted Name applications; a new richer data model for representing drug targets has been developed; and a number of methods have been put in place to allow users to more easily identify reliable data. Finally, access to ChEMBL is now available via a new Resource Description Framework format, in addition to the web-based interface, data downloads and web services.
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ChEMBL: a large-scale bioactivity database for drug discovery
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Quantifying the chemical beauty of drugs
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THE UNITED STATES PHARMACOPEIAL CONVENTION
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