Frontier orbital energies, hydrophobicity and steric factors as physical QSAR descriptors of molecular mutagenicity. A review with a case study: MX compounds

Chemosphere

Volumn 38, Issue 13, 1999, Pages 3015-3030

  Tuppurainen, Kari ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Carcinogenicity; CoMFA; Electrophilicity; HOMO; Hydrophobicity; LUMO; Mutagenicity; MX compounds; One electron reduction; QSARs; Steric properties

Indexed keywords

MUTAGENICITY;

AMES TEST; ARTICLE; GENOTOXICITY; HYDROPHOBICITY; MOLECULAR MODEL; MUTAGENICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SALMONELLA TYPHIMURIUM;

SALMONELLA TYPHIMURIUM;

EID: 0033151341     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(98)00503-7     Document Type: Review

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