Abstract
The effectiveness of the existing theoretical methods used in prediction of antioxidant activity, including structure-activity relationships (SAR) and theoretical index, were evaluated. In most cases, it was found that the theoretical predictions were consistent with the experimental data. Although only one mechanism, free radical scavenging, was considered in the theories, the methods were valuable in predicting the activity of antioxidants to protect lipid oxidation.
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Zhang, HY. Theoretical methods used in elucidating activity differences of phenolic antioxidants. J Amer Oil Chem Soc 76, 745–748 (1999). https://doi.org/10.1007/s11746-999-0170-8
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DOI: https://doi.org/10.1007/s11746-999-0170-8