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Theoretical descriptors in quantitative structure-affinity and selectivity relationship study of potent
M C Menziani1, P G De Benedetti, M Karelson
1Dipartimento di Chimica, Università di Modena, Italy. deben@unimo.it
Bioorganic & Medicinal Chemistry
|June 18, 1998
Abstract:
The ability of ad hoc defined size and shape descriptors and theoretical descriptors derived on a single structure to give powerful interpretative and predictive QSAR models has been compared and evaluated with respect to the quality of the pharmacological data available for a series of structurally diverse 5-HT1A receptor antagonists, displaying selectivity towards the alpha 1-adrenergic receptor.