QUANTITATIVE STRUCTURE-GENOTOXICITY RELATIONSHIP OF SUBSTITUTED PHENOLS TO HUMAN LYMPHOCYTE
Qianfen Xiao · Environmental Chemistry · 2007
The genotoxicities of 29 substituted phenols to the human peripheral blood lymphocyte were determined through micronucleus assay experiment and the results showed that 29 phenols resulted markedly in production of micronucleus, possessing obvious genotoxicity. Also, there existed certain regularity between genotoxicity and substituted groups and their position. The QSAR model for the genotoxicities was established by multiple linear regressions. Four molecular descriptors (X2SOL, ICR, X0A, LOP) were found to relate significantly to the genotoxicities. The QSAR model was qualified by r2 of 0.816, thus could quantitatively predict the genotoxicity of substituted phenols.