PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem.
Where this comes from
- Record sourced from PubMed, PMID 22084255.
- Also identified by DOI 10.1093/bioinformatics/btr622 and PMC identifier 3276228.
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Abstract
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. http://chemutils.florida.scripps.edu/pcpromiscuity southern@scripps.edu
Medical subject headings
- Databases, Factual
- Internet
- Pharmaceutical Preparations
- Search Engine