Computer-automated structure evaluation of antileukemic 9-anilinoacridines.

The computer-automated structure evaluation (CASE) program has been applied to the evaluation of antileukemic (L1210) and toxic activities of an extensive series of 9-anilinoacridines. Major molecular fragments relevant to the respective biological endpoints were automatically generated and incorporated within equations used to estimate the degree of activity. Correlations of these activating/inactivating fragments with the biological activities are discussed.