{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T16:12:13Z","timestamp":1787242333412,"version":"build-2736575974"},"reference-count":11,"publisher":"Oxford University Press (OUP)","issue":"1","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2012,1,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>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.<\/jats:p>\n                  <jats:p>Availability: \u00a0http:\/\/chemutils.florida.scripps.edu\/pcpromiscuity<\/jats:p>\n                  <jats:p>Contact: \u00a0southern@scripps.edu<\/jats:p>","DOI":"10.1093\/bioinformatics\/btr622","type":"journal-article","created":{"date-parts":[[2011,11,15]],"date-time":"2011-11-15T10:18:21Z","timestamp":1321352301000},"page":"140-141","source":"Crossref","is-referenced-by-count":19,"title":["PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem"],"prefix":"10.1093","volume":"28","author":[{"given":"Stephanie A.","family":"Canny","sequence":"first","affiliation":[{"name":"Translational Research Institute and Molecular Therapeutics, The Scripps Research Institute, Scripps Florida, 130 Scripps Way, Jupiter, FL 33458, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yasel","family":"Cruz","sequence":"additional","affiliation":[{"name":"Translational Research Institute and Molecular Therapeutics, The Scripps Research Institute, Scripps Florida, 130 Scripps Way, Jupiter, FL 33458, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mark R.","family":"Southern","sequence":"additional","affiliation":[{"name":"Translational Research Institute and Molecular Therapeutics, The Scripps Research Institute, Scripps Florida, 130 Scripps Way, Jupiter, FL 33458, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Patrick R.","family":"Griffin","sequence":"additional","affiliation":[{"name":"Translational Research Institute and Molecular Therapeutics, The Scripps Research Institute, Scripps Florida, 130 Scripps Way, Jupiter, FL 33458, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2011,11,13]]},"reference":[{"key":"2023061011450589200_B1","doi-asserted-by":"crossref","first-page":"1138","DOI":"10.1126\/science.1105511","article-title":"NIH Molecular Libraries Initiative","volume":"306","author":"Austin","year":"2004","journal-title":"Science"},{"key":"2023061011450589200_B2","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1021\/jm901137j","article-title":"New substructure filters for removal of Pan Assay Interference Compounds (PAINS) from screening libraries and for their exclusion in bioassays","volume":"53","author":"Baell","year":"2010","journal-title":"J. Med. Chem."},{"key":"2023061011450589200_B3","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1089\/adt.2006.053","article-title":"Bioluminescent assays for high-throughput screening","volume":"5","author":"Fan","year":"2007","journal-title":"Assay Drug Dev. Technol."},{"key":"2023061011450589200_B4","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1038\/nchembio.296","article-title":"The art of the chemical probe","volume":"6","author":"Frye","year":"2010","journal-title":"Nat. Chem. Biol."},{"key":"2023061011450589200_B5","doi-asserted-by":"crossref","first-page":"1052","DOI":"10.1016\/j.drudis.2010.10.003","article-title":"PubChem as a public resource for drug discovery","volume":"15","author":"Li","year":"2010","journal-title":"Drug Discov. Today"},{"key":"2023061011450589200_B6","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"46","author":"Lipinski","year":"2001","journal-title":"Adv. Drug Deliv. Rev."},{"key":"2023061011450589200_B7","doi-asserted-by":"crossref","first-page":"616","DOI":"10.1038\/nchembio.216","article-title":"Target profiling of small molecules by chemical proteomics","volume":"5","author":"Rix","year":"2009","journal-title":"Nat. Chem. Biol."},{"key":"2023061011450589200_B8","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1177\/1087057111400191","article-title":"BioAssay ontology annotations facilitate cross-analysis of diverse high-throughput screening data sets","volume":"16","author":"Sch\u00fcrer","year":"2011","journal-title":"J. Biomol. Screen."},{"key":"2023061011450589200_B9","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1093\/bioinformatics\/btq715","article-title":"A Java API for working with PubChem datasets","volume":"27","author":"Southern","year":"2011","journal-title":"Bioinformatics"},{"key":"2023061011450589200_B10","doi-asserted-by":"crossref","first-page":"e1000387","DOI":"10.1371\/journal.pcbi.1000387","article-title":"Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors","volume":"5","author":"Xie","year":"2009","journal-title":"PLoS Comput. Biol."},{"key":"2023061011450589200_B11","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1126\/science.279.5347.84","article-title":"Quantitation of transcription and clonal selection of single living cells with beta-lactamase as reporter","volume":"279","author":"Zlokarnik","year":"1998","journal-title":"Science"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/28\/1\/140\/50568388\/bioinformatics_28_1_140.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/28\/1\/140\/50568388\/bioinformatics_28_1_140.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,6,10]],"date-time":"2023-06-10T07:46:24Z","timestamp":1686383184000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/28\/1\/140\/221571"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,11,13]]},"references-count":11,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2012,1,1]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/btr622","relation":{},"ISSN":["1367-4811","1367-4803"],"issn-type":[{"value":"1367-4811","type":"electronic"},{"value":"1367-4803","type":"print"}],"subject":[],"published-other":{"date-parts":[[2012,1,1]]},"published":{"date-parts":[[2011,11,13]]}}}