QSPR models for physicochemical properties of polychlorinated diphenyl ethers

Science of the Total Environment

Volumn 305, Issue 1-3, 2003, Pages 65-76

  Yang, Ping ^a,b   Chen, Jingwen ^a,c   Chen, Shuo ^a   Yuan, Xing ^b   Schramm, K W ^c   Kettrup, A ^c,d  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b NORTHEAST NORMAL UNIVERSITY   (China)

^c INSTITUTE OF EPIDEMIOLOGY   (Germany)

^d TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

PCDEs; Physico chemical properties; PLS; PM3; QSPR

Indexed keywords

MOLECULAR STRUCTURE; REGRESSION ANALYSIS; SOLUBILITY; VAPOR PRESSURE;

PARTIAL LEAST SQUARES REGRESSION;

ETHERS;

ESTER DERIVATIVE; OCTANOL; WATER;

CHLORINATED HYDROCARBON; ETHER; MODELING; PHYSICOCHEMICAL PROPERTY;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL MODEL; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; CHLORINATION; COOLING; ENERGY; LIQUID; MOLECULAR MECHANICS; MOLECULAR WEIGHT; PARTITION COEFFICIENT; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; SOLUBILITY; VALIDATION PROCESS; VAPOR;

MODELS, THEORETICAL; PHENYL ETHERS; RISK ASSESSMENT; SOLUBILITY; STRUCTURE-ACTIVITY RELATIONSHIP; TEMPERATURE; VOLATILIZATION;

EID: 0037446065     PISSN: 00489697     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0048-9697(02)00467-9     Document Type: Article

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