Structure-activity relationship studies of chemical mutagens and carcinogens: Mechanistic investigations and prediction approaches

For years, chemical carcinogenicity has been the target of numerous attempts to create alternative predictive models, ranging from short-term biological assays to theoretical models. Among the theoretical models, the application of the science of structure-activity relationships (SARs) has earned significant attention. To date, a specialized section of the SA analyses on chemical mutagens and carcinogens has been developed through the use of concepts from the quantitative structure-activity relationships (QSARs) methods. On the contrary, QSAR research on nongenotoxic carcinogens is still in its infancy. From the studies on genotoxic carcinogens, the most important conclusion is the great importance of hydrophobicity in the modulation of the potential for mutagenicity and carcinogenicity.