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RECORD NUMBER: 140 OF 265

OLS Field Name OLS Field Data
Main Title Quantitative Structure-Activity Relationships of Beta-Adrenergic Agents. Application of the Computer Automated Structure Evaluation (CASE) Technique of Molecular Fragment Recognition.
Author Klopman, G. ; Kalos, A. N. ;
CORP Author Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;National Institutes of Health, Bethesda, MD.
Publisher c1986
Year Published 1986
Report Number EPA-R-812264; EPA/600/J-86/512;
Stock Number PB90-106402
Additional Subjects Molecular structure ; Tables(Data) ; Reprints ; Structure-activity relationship ; Beta adrenergic receptor agonists ; Beta adrenergic receptor blockaders ; Expert systems ; Adenylate cyclase ; Computer automated structure evaluation(CASE)
Holdings
Library Call Number Additional Info Location Last
Modified
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Status
NTIS  PB90-106402 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/10/1990
Collation 18p
Abstract
A quantitative structure-activity analysis of adenylate cyclase-coupled beta-adrenergic receptor agonists and antagonists in the frog erythrocyte membrane was made. On the basis of molecular structural fragment descriptors, automatically generated by the CASE methodology, catecholamine derivatives were correctly classified as agonist or antagonists. The potency of these agents in each category, as well as their binding-affinity for the beta receptor was correlated through a multivariate regression analysis. (Copyright (c) 1986 Academic Press, Inc. (London) Ltd.)