Proceedings of the Symposium on Chemoinformatics
41th Symposium on Chemoinformatics, Kumamoto
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Poster Session
Theoretical Study on substituent effect of antioxidant properties of ferulic acid
*Hiroyuki TeramaeMeiyan XuanTsukasa YamashitaJun TakayamaMari OkazakiTakeshi Sakamoto
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages 1P09-

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Abstract
The ferulic acid is known to have strong antioxidant properties. In the present study, we have investigate the electronic structures of the ferulic acid and its radical extracting the hydrogen atom from its phenolic hydroxyl group. We have discussed the relation of the results with the radical scavenging activity with the DPPH reagent measured by Sakamoto et al. by machine learning.
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