Combining cluster analysis, feature selection and multiple support vector machine models for the identification of human ether-a-go-go related gene channel blocking compounds

Chemical Biology and Drug Design

Volumn 73, Issue 1, 2009, Pages 17-25

  Nisius, Britta ^a,b   Göller, Andreas H ^b   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

^b BAYER PHARMA AG   (Germany)

Author keywords

Cluster analysis; Feature selection; Human ether a go go related gene; MACCS keys; Quantitative structure activity relationship; Support vector machines

Indexed keywords

ALOSETRON; AMIODARONE; ASTEMIZOLE; CISAPRIDE; CLOFILIUM; DOFETILIDE; FLUVOXAMINE; OLANZAPINE; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; SERTINDOLE; TERFENADINE; TOLTERODINE; VERAPAMIL;

ACCURACY; ARTICLE; CHANNEL GATING; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; PATCH CLAMP; PREDICTION; PRIORITY JOURNAL; SENSITIVITY AND SPECIFICITY; STRUCTURE ANALYSIS; SUPPORT VECTOR MACHINE;

ARTIFICIAL INTELLIGENCE; CLUSTER ANALYSIS; COMPUTER SIMULATION; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; POTASSIUM CHANNEL BLOCKERS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

MAMMALIA;

EID: 58149086468     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00747.x     Document Type: Article

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