QSAR study of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls using the heuristic method and support vector machine

QSAR and Combinatorial Science

Volumn 25, Issue 1, 2006, Pages 46-55

  Luan, F ^a   Ma, W P ^a   Zhang, X Y ^a   Zhang, H X ^a   Liu, M C ^a   Hu, Z D ^a   Fan, B T ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DIDEROT   (France)

Author keywords

PCBs; PCDDs; PCDFs; QSAR; SVM

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; MEAN SQUARE ERROR; MOLECULAR GRAPHICS; ORGANIC POLLUTANTS; POLYCHLORINATED BIPHENYLS; POLYCYCLIC AROMATIC HYDROCARBONS; SUPPORT VECTOR MACHINES;

(PCDD), AND BIPHENYL; (PCDF), DIBENZODIOXIN; ARYL HYDROCARBON RECEPTOR; DIBENZOFURANS; POLYCHLORINATED DIBENZOFURANS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES; SUPPORT VECTOR MACHINE MODELS; SUPPORT VECTORS MACHINE;

HEURISTIC METHODS;

AROMATIC HYDROCARBON RECEPTOR; CYTOCHROME P450 1A1; POLYCHLORINATED BIPHENYL; POLYCHLORINATED DIBENZODIOXIN; POLYCHLORINATED DIBENZOFURAN; POLYCYCLIC AROMATIC HYDROCARBON;

ALGORITHM; ARTICLE; BINDING AFFINITY; METHODOLOGY; MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING; REGRESSION ANALYSIS;

EID: 31944435042     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200530131     Document Type: Article

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