ABSTRACT
Extensive mutagenesis and clastogenesis studies have capitulated adequate structure–activity relationship (SAR) information for the construction of computational models for predicting endpoints which are based on molecular structure and reactivity. However, there is a foundation for buoyancy that these objects either for ease or eradicate the call for actual genotoxicity testing. In this chapter, an overview has been provided about the state of the art of such approaches, further scrutinising these models is favourable. Existing programs have restricted predictive capabilities. The foremost contributing factors for the innate lack of sensitivity are low coverage of non-covalent DNA interactions. Favourable specificity can be partly featured to chemical space deliberations with allied non-causal activity associations.
