QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 6, 2001, Pages 1553-1560

  Kauffman, Gregory W ^a   Jurs, Peter C ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

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

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMISTRY; DRUG EFFECT; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL;

CYCLOOXYGENASE INHIBITORS; ISOENZYMES; LINEAR MODELS; MONTE CARLO METHOD; NEURAL NETWORKS (COMPUTER); PROSTAGLANDIN-ENDOPEROXIDE SYNTHASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

DATA SETS;

ALGORITHMS; MOLECULAR STRUCTURE; NEURAL NETWORKS; ORGANIC COMPOUNDS; REGRESSION ANALYSIS; TOPOLOGY;

ENZYMES;

EID: 0035498337     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010073h     Document Type: Article

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