Abstract
A quantitative structure‐activity relationship withR2=0.8344(R=0.9135)has been derived from a set of 95 heteroaromatic and aromatic amines to correlate and predict their mutagenic activity. It consists of six descriptors calculated from the molecular structures with quantum‐chemical methods. The descriptors in the model reveal the importance in mutagenic interactions of heteroaromatic amines of hydrogen bonding, of effects induced by the solvent, and of the size of compound. The model also suggests that the amino group is critical for the reactive site.