A QSAR MODEL OF TERATOGENESIS

Four related QSAR models of teratogenesis in experimental animals have been developed: one each for heteroaromatic, carboaromatic, alicyclic and acyclic compounds. The numbers of compounds in these models range from 40 (for the alicyclic model) to 144 (for the carboaromatic model). As determined by cross-validation using the leave-one-out, or jackknife, technique, the accuracy of the models in discriminating between teratogens and non-teratogens ranges from 92.4% to 96%. A single overall assessment of experimental teratogenesis was chosen as the biological endpoint; taking into account such factors as dosage, maternal toxicity, and affected organ systems remain to be subjects of further studies.