QSPR/QSAR models for prediction of the physico-chemical properties and biological activity of polychlorinated diphenyl ethers (PCDEs)

Chemosphere

Volumn 80, Issue 6, 2010, Pages 665-670

  Hui Ying, Xu ^a   Jian Wei, Zou ^b   Gui Xiang, Hu ^b   Wei, Wang ^c  

^a ZHEJIANG SHUREN UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

^c Zhenhai Environmental Monitoring Station   (China)

Author keywords

Molecular electrostatic potential; Polychlorinated diphenyl ethers; QSAR; QSPR; QSRR

Indexed keywords

ALCOHOLS; BIOACTIVITY; CHEMICAL PROPERTIES; CHLORINE COMPOUNDS; COMPUTATIONAL CHEMISTRY; ELECTROSTATICS; ETHERS; GAS CHROMATOGRAPHY; LINEAR REGRESSION; NITROGEN COMPOUNDS; SUPERCOOLING;

MOLECULAR ELECTROSTATIC POTENTIALS; POLYCHLORINATED DIPHENYL ETHERS; QSAR; QSPR; QSRR;

ORGANIC POLLUTANTS;

DIPHENYL ETHER DERIVATIVE; POLYCHLORINATED DIPHENYL ETHER; UNCLASSIFIED DRUG; POLLUTANT; POLYCHLORINATED DIPHENYL ETHERS;

BIOLOGICAL ANALYSIS; CHLORINATED HYDROCARBON; MOLECULAR ANALYSIS; MULTIPLE REGRESSION; NUMERICAL MODEL; OPTIMIZATION; ORGANIC POLLUTANT; PARTITION COEFFICIENT; PHYSICOCHEMICAL PROPERTY; PREDICTION; QUANTITATIVE ANALYSIS; SOLUBILITY; TOXICITY;

ARTICLE; CONTROLLED STUDY; GAS CHROMATOGRAPHY; IMMUNOTOXICITY; MULTIPLE LINEAR REGRESSION ANALYSIS; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; PREDICTION; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SOLUBILITY; VAPOR PRESSURE; CHEMISTRY; POLLUTANT; PRESSURE; TEMPERATURE; TOXICITY;

CHROMATOGRAPHY, GAS; ENVIRONMENTAL POLLUTANTS; HALOGENATED DIPHENYL ETHERS; PRESSURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOLUBILITY; TEMPERATURE;

EID: 77953809652     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2010.04.050     Document Type: Article

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