The ability of ad hoc defined size and shape descriptors and theoretical descriptors derived on a single structure to give poweful 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-HT1(A) receptor antagonists, displaying selectivity towards the alpha 1-adrenergic receptor. (C) 1998 Elsevier Science Ltd. All rights reserved.
Theoretical descriptors in quantitative structure - Affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1(Alpha) receptor antagonists / Menziani, Maria Cristina; DE BENEDETTI, Pier Giuseppe; Karelson, M.. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - STAMPA. - 6:(1998), pp. 535-550.
Theoretical descriptors in quantitative structure - Affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1(Alpha) receptor antagonists
MENZIANI, Maria Cristina;DE BENEDETTI, Pier Giuseppe;
1998
Abstract
The ability of ad hoc defined size and shape descriptors and theoretical descriptors derived on a single structure to give poweful 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-HT1(A) receptor antagonists, displaying selectivity towards the alpha 1-adrenergic receptor. (C) 1998 Elsevier Science Ltd. All rights reserved.
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