Classifying molecules using a sparse probabilistic kernel binary classifier

Journal of Chemical Information and Modeling

Volumn 51, Issue 7, 2011, Pages 1539-1544

  Lowe, Robert ^a   Mussa, Hamse Y ^a   Mitchell, John B O ^b   Glen, Robert C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; DECISION MAKING; MOLECULES; RISK MANAGEMENT; SUPPORT VECTOR MACHINES;

BENCHMARK DATA; BINARY CLASSIFIERS; CHEMOINFORMATICS; INACTIVE COMPOUNDS; PRE-DEFINED CLASS; RELEVANCE VECTOR MACHINE; SUPERVISED CLASSIFICATION; SVM CLASSIFIERS;

CLASSIFICATION (OF INFORMATION);

ENZYME INHIBITOR;

ALGORITHM; ARTICLE; BIOLOGICAL MODEL; BIOLOGY; CHEMISTRY; CLASSIFICATION; DRUG DEVELOPMENT; METHODOLOGY;

ALGORITHMS; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; ENZYME INHIBITORS; MODELS, BIOLOGICAL;

EID: 79960707576     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200128w     Document Type: Article

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