QSAR study of antiplatelet agents
Copyright policy )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.
- University of Florida United States
- University of Tartu Estonia
- Tallinn University of Technology Estonia
Blood Platelets, Molecular Structure, QSAR, Benzoxazinones, Antithrombin III, Quantitative Structure-Activity Relationship, Benzoxazines, Models, Chemical, Factor Xa, Computer Simulation, Antiplatelets, CODESSA PRO, ANN, Algorithms, Platelet Aggregation Inhibitors, Factor Xa Inhibitors
Blood Platelets, Molecular Structure, QSAR, Benzoxazinones, Antithrombin III, Quantitative Structure-Activity Relationship, Benzoxazines, Models, Chemical, Factor Xa, Computer Simulation, Antiplatelets, CODESSA PRO, ANN, Algorithms, Platelet Aggregation Inhibitors, Factor Xa Inhibitors
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