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An artificial intelligence approach to the study of the structural moieties relevant to drug-receptor interactions in aldose reductase inhibitors

G Klopman and E Buyukbingol

Case Western Reserve University, Department of Chemistry, Cleveland, Ohio 44106.

The computer-automated structure evaluation program has been used to study 482 compounds relevant to the inhibition of the aldose reductase enzyme. Major activating/inactivating fragments were generated automatically. The significance of these molecular descriptors with respect to the activity of the compounds is discussed.

Volume 34, Issue 6, pp. 852-862, 12/01/1988
Copyright © 1988 by American Society for Pharmacology and Experimental Therapeutics






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Copyright © 1988 by the American Society for Pharmacology and Experimental Therapeutics