QSAR approach to molecular mutagenicity: A survey and a case study: MX compounds

@inproceedings{Tuppurainen1994QSARAT,
  title={QSAR approach to molecular mutagenicity: A survey and a case study: MX compounds},
  author={Kari Tuppurainen},
  year={1994}
}
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… CONTINUE READING