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

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

DOI: 10.1093/bioinformatics/btr622

Cite this paper

@article{Canny2012PubChemPA, title={PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem}, author={Stephanie A. Canny and Yasel Cruz and Mark R. Southern and Patrick R. Griffin}, journal={Bioinformatics}, year={2012}, volume={28 1}, pages={140-1} }