期刊
BIOINFORMATICS
卷 28, 期 1, 页码 140-141出版社
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btr622
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- The Comprehensive Center for Chemical Probe Discovery and Optimization at TSRI [5 U54 MH084512-02]
Promiscuity counts allow for a better understanding of a compound's assay activity profile and drug potential. Although PubChem contains a vast amount of compound and assay data, it currently does not have a convenient or efficient method to obtain in-depth promiscuity counts for compounds. PubChem promiscuity fills this gap. It is a Java servlet that uses NCBI Entrez (eUtils) web services to interact with PubChem and provide promiscuity counts in a variety of categories along with compound descriptors, including PAINS-based functional group detection.
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