2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 1, 2004, Pages 276-285

  Baurin, Nicolas ^a   Mozziconacci, Jean Christophe ^a   Arnoult, Eric ^a   Chavatte, Philippe ^b   Marot, Christophe ^a   Morin Allory, Luc ^a  

^a UNIVERSITÉ D'ORLÉANS   (France)

^b UNIV LILLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DATABASE SYSTEMS; DECISION THEORY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NEURAL NETWORKS; REGRESSION ANALYSIS; SCREENING; TREES (MATHEMATICS); VAN DER WAALS FORCES; VIRTUAL REALITY;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR); VIRTUAL SCREENING;

MOLECULAR PHYSICS;

CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; ISOENZYME; PROSTAGLANDIN SYNTHASE; PROSTAGLANDIN SYNTHASE INHIBITOR;

ARTICLE; DATA BASE; DRUG EFFECT; HEALTH CARE ORGANIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; UNITED STATES;

CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; CYCLOOXYGENASE INHIBITORS; DATABASE MANAGEMENT SYSTEMS; ISOENZYMES; NATIONAL INSTITUTES OF HEALTH (U.S.); PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; UNITED STATES;

EID: 1542426098     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0341565     Document Type: Article

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