Flavonoid as a Potent Antioxidant: Quantitative Structure–Activity Relationship Analysis, Mechanism Study, and Molecular Design by Synergizing Molecular Simulation and Machine Learning

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DOI:10.1021/acs.jpca.4c03241
作者：Ling Lu,?Yajie Luan,?Huaqi Wang,?Yangyang Gao,?Sizhu Wu,?Xiuying Zhao
文献类型：期刊论文
补充材料：只需要正文
文献链接：https://doi.org/10.1021/acs.jpca.4c03241

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Abstract：In this work, a quantitative structure-antioxidant activity relationship of flavonoids was performed using a machine learning (ML) method. To achieve lipid-soluble, highly antioxidant flavon

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