QSAR study of antiplatelet agents |
| |
Authors: | Katritzky Alan R Pacureanu Liliana M Slavov Svetoslav Dobchev Dimitar A Karelson Mati |
| |
Affiliation: | Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL 32611, USA. katritzky@chem.ufl.edu |
| |
Abstract: | 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. |
| |
Keywords: | |
本文献已被 ScienceDirect PubMed 等数据库收录! |
|