Exploiting PubChem for virtual screening

Expert Opinion on Drug Discovery

Volumn 5, Issue 12, 2010, Pages 1205-1220

  Xie, Xiang Qun Sean ^a,b,c  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b Drug Discovery Institute   (United States)

^c Pittsburgh Chemical Methodologies and Library Development ^*  (United States)

Author keywords

cheminformatics; data mining; polypharmacology; PubChem; toxicity; virtual screening

Indexed keywords

4 (1,1 DIMETHYLHEPTYL) 1',2',3',4',5',6' HEXAHYDRO 2,3' DIHYDROXY 6' (3 HYDROXYPROPYL)BIPHENYL; AZD 7371; CANNABINOID RECEPTOR; CANNABINOID RECEPTOR AGONIST; CID 104895; CID 3086156; CID 5281672; CID 6604782; G PROTEIN COUPLED RECEPTOR; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; PROTEIN KINASE INHIBITOR; SEROTONIN 1A ANTAGONIST; UNCLASSIFIED DRUG;

BINDING AFFINITY; BIOASSAY; CARDIOTOXICITY; COMPUTER AIDED DESIGN; COMPUTER MODEL; DATA BASE; DRUG CYTOTOXICITY; DRUG DESIGN; DRUG DETERMINATION; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; IC 50; INTERNET; MEDICAL INFORMATICS; NONHUMAN; PRIORITY JOURNAL; QUALITY CONTROL; REVIEW;

EID: 78649386109     PISSN: 17460441     EISSN: None     Source Type: Journal    
DOI: 10.1517/17460441.2010.524924     Document Type: Review

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