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  1. 1 Open Chemistry

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  1. 1 2008

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  1. 1 Ray S.

  2. 1 Roy K.

  3. 1 Sengupta C.

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QSAR modeling for lipid peroxidation inhibition potential of flavonoids using topological and structural parameters

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Ray S., Sengupta C., Roy K.
Open Chemistry
|
2008
|
vol. 6
|
issue 2
267-276
EN
In the present study, Quantitative Structure-Activity Relationship (QSAR) modeling has been carried out for lipid peroxidation (LPO)-inhibition potential of a set of 27 flavonoids, using structural and topological parameters. For the development of models, three methods were used: (1) stepwise regression, (2) factor analysis followed by multiple linear regressions (FA-MLR) and (3) partial least squares (PLS) analysis. The best equation was obtained from stepwise regression analysis (Q2 = 0.626) considering the leave-oneout prediction statistics. [...]
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