QSAR study on competition binding of rodenticides (PATs) to H1 receptor in rat and guinea pig brain Original Research Article

A quantitative structure–activity relationship (QSAR) study on binding activity for a series of rodenticides (PAT analogues) to the [3H]-mepyramine-labeled H1 receptor in rat and guinea pig brain is attempted topologically. From the pool of molecular descriptors we, observed that the most significant descriptor is the molecular redundancy index (MRI). Multiple regression analysis gave excellent results with MRI upon introduction of some dummy parameters (indicator parameters). Predictive ability of the proposed models is discussed using cross-validation parameters.