Theoretical descriptors in quantitative structure–affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1A receptor antagonists Original Research Article

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-HT1A receptor antagonists, displaying selectivity towards the α1-adrenergic receptor.