ChEMBL web services: streamlining access to drug discovery data and utilities

被引：475

作者：

Davies, Mark ^{[1
]}

Nowotka, Michal ^{[1
]}

Papadatos, George ^{[1
]}

Dedman, Nathan ^{[1
]}

Gaulton, Anna ^{[1
]}

Atkinson, Francis ^{[1
]}

Bellis, Louisa ^{[1
]}

Overington, John P. ^{[1
]}

机构：

[1] European Bioinformat Inst, European Mol Biol Lab, Hinxton CB10 1SD, Cambs, England

来源：

NUCLEIC ACIDS RESEARCH | 2015年 / 43卷 / W1期

基金：

英国惠康基金;

关键词：

INFORMATION-SYSTEM;

D O I：

10.1093/nar/gkv352

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：W612 / W620

页数：9

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