QSAR study of antiplatelet agents

A QSAR methodology that involves multilinear (Hansch-type) and nonlinear (ANN backpropagation) approaches was developed to correlate the antiplatelet activity of 60 benzoxazinone derivatives against factor Xa. The statistical characteristics provided by multilinear model (R2 = 0.821) indicated satisfactory stability and predictive ability, while the ANN predictive ability is somewhat superior (R2 = 0.909). The multilinear model provided insight into the main factors that modulate the inhibitory activity of the investigated compounds.

A QSAR methodology that involves multilinear (Hansch-type) and nonlinear approaches was developed to correlate the antiplatelet activity of 60 benzoxazinone derivatives against factor Xa. The statistical characteristics provided by multilinear (R2 = 0.821) and nonlinear (R2 = 0.825) models indicated moderate predicitive ability, while the ANN prediction is superior (R2 = 0.909).Figure optionsDownload as PowerPoint slide