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.
D000677:Amsacrine / Q000031:analogs & derivatives*; D000818:Animals; D000970:Antineoplastic Agents; D003198:Computer Simulation; D007939:Leukemia L1210 / Q000188:drug therapy; D012984:Software; D013329:Structure-Activity Relationship
D000970:Antineoplastic Agents; D000677:Amsacrine; C022202:9-anilinoacridine