QSPR/QSAR models for prediction of the physicochemical properties and biological activity of polybrominated diphenyl ethers

Chemosphere

Volumn 66, Issue 10, 2007, Pages 1998-2010

  Xu, Hui Ying ^a,b   Zou, Jian Wei ^a   Yu, Qing Sen ^a   Wang, Yan Hua ^b   Zhang, Jian Ying ^c   Jin, Hai Xiao ^a  

^a ZHEJIANG UNIVERSITY   (China)

^b ZHEJIANG SHUREN UNIVERSITY   (China)

^c ZHEJIANG UNIVERSITY   (China)

Author keywords

Ab initio; Molecular electrostatic potential; Polybrominated diphenyl ethers; QSAR; QSPR

Indexed keywords

ELECTROSTATICS; ETHERS; GAS CHROMATOGRAPHY; MATHEMATICAL MODELS; OPTIMIZATION; PHASE SEPARATION;

MOLECULAR ELECTROSTATIC POTENTIAL; POLYBROMINATED DIPHENYL ETHERS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR);

FLAME RETARDANTS;

POLYBROMINATED DIPHENYL ETHER;

ELECTROSTATICS; ETHERS; FLAME RETARDANTS; GAS CHROMATOGRAPHY; MATHEMATICAL MODELS; OPTIMIZATION; PHASE SEPARATION;

BIOACTIVITY; ORGANIC POLLUTANT; PBDE; PHYSICOCHEMICAL PROPERTY;

ARTICLE; BIOLOGICAL ACTIVITY; CALCULATION; ELECTRIC POTENTIAL; GAS CHROMATOGRAPHY; GEOMETRY; LINEAR SYSTEM; MATHEMATICAL MODEL; MOLECULAR MODEL; MOLECULE; MULTIPLE REGRESSION; ORGANIC POLLUTION; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; STATISTICAL PARAMETERS; VAPOR PRESSURE;

ACACIA KOA;

EID: 33845241919     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2006.07.072     Document Type: Article

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