The ChEMBL database in 2017

The ChEMBL database in 2017

2017 | Anna Gaulton¹, Anne Hersey¹, Michał Nowotka¹, A. Patrícia Bento¹,², Jon Chambers¹, David Mendez¹, Prudence Mutowo¹, Francis Atkinson¹, Louisa J. Bellis¹, Elena Cibrián-Uhalte¹, Mark Davies¹, Nathan Dedman¹, Anneli Karlsson¹, María Paula Magariños¹,², John P. Overington¹, George Papadatos¹, Ines Smit¹ and Andrew R. Leach¹
The ChEMBL database, an open-access bioactivity database, has evolved significantly since its initial release. It now contains data from over 65,000 publications, 50 deposited datasets, and data from other databases, representing more than 1.6 million distinct compound structures and 14 million activity values from over 1.2 million assays. The database includes data from neglected disease screening, crop protection, drug metabolism, and patents, as well as annotations for assays and targets using ontologies. It also includes information on clinical candidates, their therapeutic indications, and metabolic pathways for drugs. The database has been expanded to include data from clinical development, drug metabolism and disposition, and data from patents. The ChEMBL interface allows users to search for compounds, targets, and assays, and provides access to data via web services, RDF, and data downloads. The database also includes information on drug indications, clinical candidates, and withdrawn drugs, with data from sources such as the FDA, EMA, and ClinicalTrials.gov. New features include richer assay and target annotations using ontologies, allowing users to search and filter data by cell-line, tissue, or assay format. The database also includes information on drug metabolism, toxicity, and pharmacokinetic data, as well as structural alerts for compounds. The ChEMBL database is accessible via a web interface, and data can be downloaded in various formats, including Oracle, MySQL, PostgreSQL, SQLite, RDF, and FASTA. It also provides RESTful web services for programmatic access and a Solr-based search functionality. The database is integrated with other resources such as PubChem BioAssay, BindingDB, CanSAR, Open PHACTS, Open Targets, and the Target Central Resource Database/PHAROS. The ChEMBL database continues to grow and evolve to meet the needs of an increasing range of users and applications, with a focus on improving data curation, annotation, and infrastructure. The database is supported by funding from the Wellcome Trust, the European Molecular Biology Laboratory, the Innovative Medicines Initiative, the National Institutes of Health, and other organizations.The ChEMBL database, an open-access bioactivity database, has evolved significantly since its initial release. It now contains data from over 65,000 publications, 50 deposited datasets, and data from other databases, representing more than 1.6 million distinct compound structures and 14 million activity values from over 1.2 million assays. The database includes data from neglected disease screening, crop protection, drug metabolism, and patents, as well as annotations for assays and targets using ontologies. It also includes information on clinical candidates, their therapeutic indications, and metabolic pathways for drugs. The database has been expanded to include data from clinical development, drug metabolism and disposition, and data from patents. The ChEMBL interface allows users to search for compounds, targets, and assays, and provides access to data via web services, RDF, and data downloads. The database also includes information on drug indications, clinical candidates, and withdrawn drugs, with data from sources such as the FDA, EMA, and ClinicalTrials.gov. New features include richer assay and target annotations using ontologies, allowing users to search and filter data by cell-line, tissue, or assay format. The database also includes information on drug metabolism, toxicity, and pharmacokinetic data, as well as structural alerts for compounds. The ChEMBL database is accessible via a web interface, and data can be downloaded in various formats, including Oracle, MySQL, PostgreSQL, SQLite, RDF, and FASTA. It also provides RESTful web services for programmatic access and a Solr-based search functionality. The database is integrated with other resources such as PubChem BioAssay, BindingDB, CanSAR, Open PHACTS, Open Targets, and the Target Central Resource Database/PHAROS. The ChEMBL database continues to grow and evolve to meet the needs of an increasing range of users and applications, with a focus on improving data curation, annotation, and infrastructure. The database is supported by funding from the Wellcome Trust, the European Molecular Biology Laboratory, the Innovative Medicines Initiative, the National Institutes of Health, and other organizations.
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Understanding The ChEMBL database in 2017