Non-linear modeling and chemical interpretation with aid of support vector machine and regression

Current Computer-Aided Drug Design

Volumn 6, Issue 1, 2010, Pages 24-36

  Hasegawa, Kiyoshi ^a   Funatsu, Kimito ^b  

^a CHUGAI PHARMACEUTICAL CO LTD   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Chemical interpretation; De novo design; Kernel; Non linear modeling; SVM; SVR; Variable selection; Visualization

Indexed keywords

COMPUTATIONAL CHEMISTRY; MODEL STRUCTURES; MOLECULAR GRAPHICS; NONLINEAR SYSTEMS; REGRESSION ANALYSIS;

CHEMICAL INTERPRETATION; DE NOVO DESIGN; KERNEL; NON-LINEAR MODELLING; PERFORMANCE; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; SUPPORT VECTOR REGRESSIONS; SUPPORT VECTORS MACHINE; VARIABLES SELECTIONS;

SUPPORT VECTOR MACHINES;

BIOINFORMATICS; CHEMICAL MODEL; NONLINEAR SYSTEM; REGRESSION ANALYSIS; REVIEW; STRUCTURE ACTIVITY RELATION; SUPPORT VECTOR MACHINE; ANIMAL; BIOLOGY; CHEMISTRY; HUMAN; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TRENDS;

DRUG;

ANIMALS; COMPUTATIONAL BIOLOGY; HUMANS; MODELS, CHEMICAL; NONLINEAR DYNAMICS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS;

EID: 77950527156     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340910790980124     Document Type: Review

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