QSAR Modeling of inhibitory activity of Flavonoids against Aldose reductase enzyme using Electrotopological state atom (e-state) Parameter
نویسنده
چکیده
Inhibitory activity against aldose reductase enzyme of nineteen flavonoid derivatives was subjected to classical quantitative structure activity relationship (QSAR) analysis using electrotopological state (E-state) atom parameter. For the development of the QSAR models, statistical techniques like stepwise multiple linear regression and partial least squares (PLS) were used. The best equation is obtained from partial least squares (PLS) considering equation statistics, explained and predicted variance (R=0.867, Ra=0.834, Q=0.692).
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