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• W1515996833 abstract "As an introduction, a brief survey on QSARs (quantitative structure-activity relationships) related to molecular mutagenicity is given. The importance of hydrophobicity and frontier orbital parameters as physical determinants is emphasized. As a detailed example, QSAR models for the Ames Salmonella typhimurium TA 100 mutagenicity of halogenated hydroxyfuranones including MX, one of the strongest bacterial mutagens ever tested, are discussed. The results indicate that the electron-accepting ability of MX compounds, together with steric properties, predict their mutagenic activity almost completely. Furthermore, it appears that the mutagenicity of MX compounds does not depend on hydrophobicity, contrasting sharply with most other bacterial mutagens. Finally, some possible connections between the frontier electron theory and general electrophilic theory of genotoxic activity are discussed." @default.
• W1515996833 created "2016-06-24" @default.
• W1515996833 creator A5070778993 @default.
• W1515996833 date "1994-03-01" @default.
• W1515996833 modified "2023-09-24" @default.
• W1515996833 title "QSAR approach to molecular mutagenicity" @default.
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• W1515996833 doi "https://doi.org/10.1016/0166-1280(94)80202-5" @default.
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