Semiempirical molecular-orbital properties of some polycyclic aromatic hydrocarbons and correlation with environmental toxic equivalency factors

Polycyclic Aromatic Compounds

Volumn 23, Issue 1, 2003, Pages 23-47

  Warne, M A ^a   Ebbels, T M D ^a   Lindon, J C ^a   Nicholson, J K ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Autoclass; Carcinogenicity; Molecular orbital; Pattern recognition; Quantitative structure activity relationship (QSAR); Toxicity equivalence factor (TEF)

Indexed keywords

ANTHANTHRENE; BENZO[A]PYRENE; DIBENZ[A,H]ANTHRACENE; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG;

ARTICLE; BAYES THEOREM; CHEMICAL ANALYSIS; CLUSTER ANALYSIS; CORRELATION ANALYSIS; ECOTOXICITY; EMPIRICISM; MOLECULAR WEIGHT; PRINCIPAL COMPONENT ANALYSIS; STATISTICAL ANALYSIS;

EID: 0037234892     PISSN: 10406638     EISSN: None     Source Type: Journal    
DOI: 10.1080/10406630308062     Document Type: Article

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