Nucleic Acids Research· 2016Q1
The ChEMBL database in 2017
- 2,429citations
- Q1SCImago
- 2016year
Short summary
The ChEMBL bioactivity database has been updated with new data sources including neglected disease screening, crop protection, drug metabolism, and patent data, alongside improvements in assay/target ontologies and clinical candidate information.
AI-generated from the title and abstract; the full text is not read.
Key points
- ChEMBL database now includes data from neglected disease screening, crop protection, drug metabolism, and patents.
- New features include ontology-based annotation of assays and targets.
- Information on clinical candidate targets, indications, metabolic pathways, and structural alerts has been added.
- Data access is available through web interface, RDF, downloads, and web services.
AI-generated from the title and abstract; the full text is not read.
Abstract
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.
The authors' abstract, as published at the source. Nucleic Acids Research, 2016 · DOI ↗
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Field: Computational Theory and Mathematics
Computational Theory and MathematicsComputer Science