Davies Mark, Nowotka Michał, Papadatos George, Dedman Nathan, Gaulton Anna, Atkinson Francis, Bellis Louisa, Overington John P
European Molecular Biology Laboratory - European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.
European Molecular Biology Laboratory - European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK
Nucleic Acids Res. 2015 Jul 1;43(W1):W612-20. doi: 10.1093/nar/gkv352. Epub 2015 Apr 16.
ChEMBL is now a well-established resource in the fields of drug discovery and medicinal chemistry research. The ChEMBL database curates and stores standardized bioactivity, molecule, target and drug data extracted from multiple sources, including the primary medicinal chemistry literature. Programmatic access to ChEMBL data has been improved by a recent update to the ChEMBL web services (version 2.0.x, https://www.ebi.ac.uk/chembl/api/data/docs), which exposes significantly more data from the underlying database and introduces new functionality. To complement the data-focused services, a utility service (version 1.0.x, https://www.ebi.ac.uk/chembl/api/utils/docs), which provides RESTful access to commonly used cheminformatics methods, has also been concurrently developed. The ChEMBL web services can be used together or independently to build applications and data processing workflows relevant to drug discovery and chemical biology.
ChEMBL如今在药物发现和药物化学研究领域已是一个成熟的资源库。ChEMBL数据库管理并存储从包括主要药物化学文献在内的多个来源提取的标准化生物活性、分子、靶点和药物数据。近期对ChEMBL网络服务(版本2.0.x,https://www.ebi.ac.uk/chembl/api/data/docs)的更新改进了对ChEMBL数据的编程访问,该更新从基础数据库中公开了更多数据并引入了新功能。为补充以数据为重点的服务,还同时开发了一个实用服务(版本1.0.x,https://www.ebi.ac.uk/chembl/api/utils/docs),它提供对常用化学信息学方法的RESTful访问。ChEMBL网络服务可以一起使用,也可以独立使用,以构建与药物发现和化学生物学相关的应用程序和数据处理工作流程。