Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 6, 2003, Pages 2048-2056

  Zernov, Vladimir V ^a   Balakin, Konstantin V ^b   Ivaschenko, Andrey A ^b   Savchuk, Nikolay P ^b   Pletnev, Igor V ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b CHEMDIV INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DATA SETS; DRUG DISCOVERY; SUPPORT VECTOR MACHINES (SVM);

DRUG DOSAGE; ENZYME INHIBITION; MATHEMATICAL MODELS; NEURAL NETWORKS; PRINCIPAL COMPONENT ANALYSIS;

LEARNING SYSTEMS;

AGRICULTURAL CHEMICAL; CARBONATE DEHYDRATASE INHIBITOR; DRUG; ENZYME INHIBITOR;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; BIOLOGY; CHEMISTRY; CLASSIFICATION; CONFORMATION; DATA BASE; DRUG DESIGN; FORECASTING; METHODOLOGY; NOMENCLATURE; NONLINEAR SYSTEM; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

AGROCHEMICALS; ALGORITHMS; ARTIFICIAL INTELLIGENCE; CARBONIC ANHYDRASE INHIBITORS; COMPUTATIONAL BIOLOGY; DATABASES; DRUG DESIGN; ENZYME INHIBITORS; FORECASTING; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TERMINOLOGY;

EID: 0344254815     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0340916     Document Type: Article

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