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Literature DB >> 22084255

PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem.

Stephanie A Canny¹, Yasel Cruz, Mark R Southern, Patrick R Griffin.

Abstract

SUMMARY: 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. AVAILABILITY: http://chemutils.florida.scripps.edu/pcpromiscuity CONTACT: southern@scripps.edu

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Year: 2011 PMID： 22084255 PMCID： PMC3276228 DOI： 10.1093/bioinformatics/btr622

Source DB: PubMed Journal: Bioinformatics ISSN： 1367-4803 Impact factor: 6.937

11 in total

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