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Original Articles Open Access
Sesquiterpene lactones from Inula falconeri possess diverse biological activities i.e., anticancer, antibacterial, hepaprotective, cytotoxic, and anti-inflammatory activity. In this work we calculated quantum chemical, thermo dynamical and topological descriptors of 16 training compounds and three different QSAR models between the experimental anti-inflammatory activity and calculated molecular descriptors have been constructed. The significance of these models is verified on the basis of correlation (R), standard deviation of the regression (S), Fischer F test and quality factor (Q). These QSAR models may be used to find out the activity of the designed compounds.
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Author(s): Bhaskar Bagchi Pranab Ghosh and Asim Kumar Bothra
QSAR, Inula falconeri, Sesquiterpene lactones, lactones