Structure-activity study of beta-adrenergic agents using the SIMCA method of pattern recognition.
Basic Information
ID: ALA3244136
Journal: J Med Chem
Title: Structure-activity study of beta-adrenergic agents using the SIMCA method of pattern recognition.
Authors: Dunn WJ, Wold S.
Abstract: The SIMCA method of pattern recognition (PaRC) was used to analyze structure-activity data for a series of phenethylamine agonists and antagonists of the beta-adrenergic receptor. On the basis of physicochemical substituent parameters the SIMCA method classified correctly 100% of the agonists and 88% of the antagonists. In addition, parameters derived from the class models were correlated with the biological activities of the agonists and antagonists, respectively. Test compounds not included in the initial data analysis were classified and their activities estimated. The applicability of pattern recognition in structure-activity studies in general is discussed.
CiteXplore: 31486
DOI: 10.1021/jm00207a015
Patent ID: ┄