ChEMBL: towards direct deposition of bioassay data

ChEMBL: towards direct deposition of bioassay data

2019, Vol. 47, Database issue Published online 6 November 2018 | David Mendez, Anna Gaulton, A. Patrícia Bento, Jon Chambers, Marleen De Veij, Eloy Félix, María Paula Magariños, Juan F. Mosquera, Prudence Mutowo, Michal Nowotka, María Gordillo-Marañón, Fiona Hunter, Laura Junco, Grace Mugumbate, Milagros Rodriguez-Lopez, Francis Atkinson, Nicolas Bosc, Chris J. Radoux, Aldo Segura-Cabrera, Anne Hersey and Andrew R. Leach
ChEMBL is a large, open-access drug discovery database that captures medicinal chemistry data and knowledge across the pharmaceutical research and development process. The database has undergone significant improvements in recent years, including more robust capture and representation of assay details, a new data deposition system, and a redesigned web interface with enhanced search and filtering capabilities. The database now contains over 15 million bioactivity measurements for 1.8 million distinct compounds, with assays annotated with detailed information on cell lines, tissues, and organisms. New data sources, such as patent bioactivity data, curated drug pharmacokinetic data, and antimicrobial screening data, have been incorporated. The data deposition system has been enhanced to allow for richer capture of assay protocol information, updates of previous data depositions, and better representation of provenance. The web interface has been completely redesigned to provide users with a broader range of functionality, including improved free-text searching, interactive filtering, and data visualizations. The ChEMBL database continues to be a valuable resource for drug discovery, offering high-quality, curated data and informatics tools.ChEMBL is a large, open-access drug discovery database that captures medicinal chemistry data and knowledge across the pharmaceutical research and development process. The database has undergone significant improvements in recent years, including more robust capture and representation of assay details, a new data deposition system, and a redesigned web interface with enhanced search and filtering capabilities. The database now contains over 15 million bioactivity measurements for 1.8 million distinct compounds, with assays annotated with detailed information on cell lines, tissues, and organisms. New data sources, such as patent bioactivity data, curated drug pharmacokinetic data, and antimicrobial screening data, have been incorporated. The data deposition system has been enhanced to allow for richer capture of assay protocol information, updates of previous data depositions, and better representation of provenance. The web interface has been completely redesigned to provide users with a broader range of functionality, including improved free-text searching, interactive filtering, and data visualizations. The ChEMBL database continues to be a valuable resource for drug discovery, offering high-quality, curated data and informatics tools.
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