The genotoxicity of selected heterocyclic nitrogen compounds: A quantitative structure‐activity relationship study

The genotoxicity of 13 heterocyclic nitrogen compounds was evaluated by micronuclei test of Vicia faba root tip cell. All these chemicals are genotoxic. A meaningful Quantitative Structure‐Activity Relationship (QSAR) model was proposed by using the quantum chemistry descriptors: The above equation is significant because of its great R2 and F values. It may reveal the mutagenic mechanism to some extent and can be used to describe the genotoxicity of 13 tested chemicals. The main key steps are metabolic course and mutagenic reaction. The chemical with higher q+ and lower Elumo has greater genotoxicity.