||Computer-Automated Structure Evaluation of Antileukemic 9-Anilinoacridines.
Klopman, G. ;
Macina, O. T. ;
||Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Antineoplastic agents ;
Deoxyribonucleic acids ;
In vitro analysis ;
Leukemia L1210 ;
Computer automated structure evaluation(CASE) ;
Structure-activity relationship ;
Dose-reponse relationships ;
Predictive value of tests
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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 end-points 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. (Copyright (c) The American Society for Pharmacology and Experimental Therapeutics.)