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The ChEMBL database in 2017
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DOI：10.1093/nar/gkw1074.png)
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摘要
En 中文
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.
Keyword:
BIOASSAY ONTOLOGY BAO
DRUG DISCOVERY
MEDICINAL CHEMISTRY
SCREENING LIBRARIES
NEGLECTED DISEASES
ATTRITION RATES
UNITED-STATES
PHASE-II
TARGET
SAFETY
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期刊
IF:
13.1
论文数:
3.6W
被引数:
29.0W
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引用论文
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NUCLEIC ACIDS RESEARCHIF13.1
OAAI分享收藏Lessons learnt from assembling screening libraries for drug discovery for neglected diseasesCHEMMEDCHEMOAAI
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