Methods for computer-aided chemical biology. Part 3: Analysis of structure-selectivity relationships through single- or dual-step selectivity searching and Bayesian classification

Chemical Biology and Drug Design

Volumn 71, Issue 6, 2008, Pages 518-528

  Stumpfe, Dagmar ^a   Geppert, Hanna ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Chemical biology; Chemoinformatics; Compound activity and selectivity; Computational methods; Structure selectivity relationships; Target families; Target selectivity

Indexed keywords

CARBONATE DEHYDRATASE; CARBONATE DEHYDRATASE I; CARBONATE DEHYDRATASE IV; CARBONATE DEHYDRATASE IX; CATHEPSIN B; CATHEPSIN K; CATHEPSIN L; CATHEPSIN S; CHYMOTRYPSIN; GELATINASE A; GELATINASE B; INTERSTITIAL COLLAGENASE; LIGAND; MATRIX METALLOPROTEINASE; NEUTROPHIL COLLAGENASE; PAPAIN; THROMBIN; TRYPSIN;

ARTICLE; BAYES THEOREM; CLASSIFICATION; COMPUTER SYSTEM; DATA BASE; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; TECHNIQUE;

BAYES THEOREM; COMPUTER-AIDED DESIGN; COMPUTING METHODOLOGIES; MOLECULAR STRUCTURE; ORGANIC CHEMICALS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 43949101012     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00670.x     Document Type: Article

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