The accurate QSPR models to predict the bioconcentration factors of nonionic organic compounds based on the heuristic method and support vector machine

Chemosphere

Volumn 63, Issue 5, 2006, Pages 722-733

  Liu, Huanxiang ^a   Yao, Xiaojun ^a   Zhang, Ruisheng ^a   Liu, Mancang ^a   Hu, Zhide ^a   Fan, Botao ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DESCARTES   (France)

Author keywords

Bioconcentration factors; Heuristic method; QSPR; Support vector machine

Indexed keywords

CONCENTRATION (PROCESS); DATA REDUCTION; ERROR ANALYSIS; HEURISTIC METHODS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE;

BIOCONCENTRATION FACTORS; QUANTITIVE STRUCTURE-PROPERTY RELATIONSHIP (QSPR); SUPPORT VECTOR MACHINE (SVM);

WATER POLLUTION;

ORGANIC COMPOUND;

CONCENTRATION (PROCESS); DATA REDUCTION; ERROR ANALYSIS; HEURISTIC METHODS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; WATER POLLUTION;

BIOACCUMULATION; DATA SET; FISH; HEURISTICS; MOLECULAR ANALYSIS; NUMERICAL MODEL; ORGANIC COMPOUND;

ARTICLE; BIOACCUMULATION; CHEMICAL STRUCTURE; LINEAR SYSTEM; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; NONLINEAR SYSTEM; PREDICTION; ANIMAL; CHEMISTRY; FISH; PREDICTION AND FORECASTING; STRUCTURE ACTIVITY RELATION; TISSUE DISTRIBUTION; WATER POLLUTANT;

ANIMALS; FISHES; ORGANIC CHEMICALS; PREDICTIVE VALUE OF TESTS; STRUCTURE-ACTIVITY RELATIONSHIP; TISSUE DISTRIBUTION; WATER POLLUTANTS, CHEMICAL;

EID: 33745051604     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2005.08.031     Document Type: Article

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