QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates

QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates

The present work addresses the quantitative structure–antioxidant activity relationship in a series of 148 sulfur-containing alkylphenols, natural phenols, chromane, betulonic and betulinic acids, and 20-hydroxyecdysone using GUSAR2019 software. Statistically significant valid models were constructe...

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Bibliographic Details
Main Authors: Veronika Khairullina, Yuliya Martynova, Irina Safarova, Gulnaz Sharipova, Anatoly Gerchikov, Regina Limantseva, Rimma Savchenko
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Molecules
Subjects:
antioxidant activity
antioxidants
QSAR models
QSPR models
GUSAR2019 program
QNA descriptors
Online Access:https://www.mdpi.com/1420-3049/27/19/6511

Internet

https://www.mdpi.com/1420-3049/27/19/6511

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