Abstract
A review on QSARs (Quantitative Structure-Activity Relationships) in modelling molecular mutagenicity is given. The importance of hydrophobicity, frontier orbital (HOMO and LUMO) energies and steric factors as physical descriptors of mutagenicity is emphasized. In addition, some possible connections between QSAR models and the general electrophilic theory of genotoxic activity are discussed. As a detailed example, QSARs for the Ames Salmonella typhimurium TA100 mutagenicity of halogenated hydroxyfuranones including MX, one of the most potent bacterial mutagens ever identified, are discussed and a plausible mechanism for their mutagenic activity is proposed.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
