Support vector machine-based QSPR for the prediction of Van der Waals' constants

QSAR and Combinatorial Science

Volumn 24, Issue 2, 2005, Pages 227-239

  Luan, Feng ^a   Zhang, Ruisheng ^a,c   Yao, Xiaojun ^b   Liu, Mancang ^a   Hu, Zhide ^a   Fan, Botao ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DIDEROT   (France)

^c Lanzhon University   (China)

Author keywords

Molecular descriptor; QSPR; SVM; Van Der Waals' constants

Indexed keywords

FORECASTING; MEAN SQUARE ERROR; MULTIPLE LINEAR REGRESSION; VAN DER WAALS FORCES;

LEARNING MACHINES; LINEAR MODELING; MEANS SQUARE ERRORS; MOLECULAR DESCRIPTORS; MULTIPLE LINEAR REGRESSIONS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; SUPPORT VECTORS MACHINE; VAN DER WAAL; VAN DER WAAL' CONSTANT;

SUPPORT VECTOR MACHINES;

ORGANIC COMPOUND;

ANALYTICAL ERROR; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPUTER SIMULATION; COMPUTER SYSTEM; LINEAR REGRESSION ANALYSIS; MACHINE; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MEAN SQUARE ERROR; MULTIPLE LINEAR REGRESSION ANALYSIS; PARAMETER; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; STATISTICAL MODEL; STRUCTURE ANALYSIS; SUPPORT VECTOR MACHINE; TECHNIQUE; VAN DER WAALS CONSTANT;

EID: 17144394776     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200430890     Document Type: Article

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