Abstract
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 (
R
2
=
0.821) and nonlinear (
R
2
=
0.825) models indicated moderate predicitive ability, while the ANN prediction is superior (
R
2
=
0.909).
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 (
R
2
=
0.821) indicated satisfactory stability and predictive ability, while the ANN predictive ability is somewhat superior (
R
2
=
0.909). The multilinear model provided insight into the main factors that modulate the inhibitory activity of the investigated compounds.