The binding of a series of PAT analogues (rodenticides) to the [3H]-mepyramine-labelled H1 receptor in rat and guinea pig brain was investigated topologically using negentropy (N), molecular redundancy (MRI), first-order molecular connectivity (1chi(v)), Wiener (W), and Szeged (Sz) indices. Multiple regression analyses showed that MRI provided excellent results upon introduction of indicator parameters. Predictive ability of the proposed models was discussed using cross-validation parameters.
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QSAR study on binding affinity of PATs (rodenticides) to the [3H]-mepyramine-labelled H1 receptor in rat and guinea pig brain.
SAR QSAR Environ Res
August 2002
Department of Chemistry, APS University, Rewa, India.
The binding of a series of PAT analogues (rodenticides) to the [3H]-mepyramine-labelled H1 receptor in rat and guinea pig brain was investigated topologically using negentropy (N), molecular redundancy (MRI), first-order molecular connectivity (1chi(v)), Wiener (W), and Szeged (Sz) indices. Multiple regression analyses showed that MRI provided excellent results upon introduction of indicator parameters. Predictive ability of the proposed models was discussed using cross-validation parameters.
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