A multivariate model of chemical carcinogenesis

In this work we have investigated electronic parameters that characterize the action of carcinogens, i.e descriptors such as electron affinity, Δ(HOMO−LUMO), dipole moments, electrostatic attraction, formation heat (Hf) and permeability of the cellular membrane (c Log P) for selected compounds. The multivariate analysis allows us to propose a theoretical model that correlates these descriptors with the carcinogenic activity in a series of chemical compounds. The protecting activity of antioxidants was analyzed by considering their competition with the DNA in the electron donation process and formation of chemical bond with the carcinogen.