||Artificial Intelligence Approach to the Study of the Structural Moieties Relevant to Drug-Receptor Interactions in Aldose Reductase Inhibitors.
Klopman, G. ;
Buyukbingol, E. ;
||Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
||EPA-R-812264, N00014-84-K-0090; EPA/600/J-88/409;
Enzyme inhibitors ;
Computer automated structure evaluation(CASE) ;
Aldose reductase ;
Structure-activity relationship ;
Predictive value of tests ;
||Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy.
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. (Copyright (c) The American Society of Pharmacology and Experimental Therapeutics.)