The ChEMBL bioactivity database: an update

作者：A. Patrícia Bento, Anna Gaulton, Anne Hersey, Louisa J. Bellis, Jon Chambers, Mark Davies, Felix Krüger, Yvonne Light, Lora Mak, Shaun McGlinchey, Michał Nowotka, George Papadatos, Rita Santos, John P. Overington · 发表于：Nucleic Acids Research · 年份：2013 · DOI：10.1093/nar/gkt1031 · 被引用次数：1569 · 研究领域：Computational Drug Discovery Methods、Microbial Natural Products and Biosynthesis、Bioinformatics and Genomic Networks

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.