Prediction of compounds with closely related activity profiles using weighted support vector machine linear combinations

Journal of Chemical Information and Modeling

Volumn 53, Issue 4, 2013, Pages 791-801

  Heikamp, Kathrin ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ACTIVITY PROFILE; CLASS PREDICTION; LINEAR COMBINATIONS; REFERENCE SET; RELATIVE CONTRIBUTION; TARGET ACTIVITY; WEIGHTED SUPPORT VECTOR MACHINE; WEIGHTING FACTORS;

SUPPORT VECTOR MACHINES;

CYTOCHROME P450; ENZYME INHIBITOR; LIGAND; OXIDOREDUCTASE;

ARTICLE; CHEMISTRY; DRUG ANTAGONISM; HUMAN; MOLECULAR LIBRARY; PREDICTIVE VALUE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; SUPPORT VECTOR MACHINE;

CYTOCHROME P-450 ENZYME SYSTEM; ENZYME INHIBITORS; HUMANS; LIGANDS; MODELS, STATISTICAL; OXIDOREDUCTASES; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; SUPPORT VECTOR MACHINES;

EID: 84876577793     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400090t     Document Type: Article

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