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Non-Linear Quantitative Structure–Activity Relationships Modelling, Mechanistic Study and In-Silico Design of Flavonoids as Potent Antioxidants

In this work, we developed quantitative structure–activity relationships (QSAR) models for prediction of oxygen radical absorbance capacity (ORAC) of flavonoids. Both linear (partial least squares—PLS) and non-linear models (artificial neural networks—ANNs) were built using parameters of two well-es...

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Detalles Bibliográficos
Publicado en:Int J Mol Sci
Main Authors: Žuvela, Petar, David, Jonathan, Yang, Xin, Huang, Dejian, Wong, Ming Wah
Formato: Artigo
Idioma:Inglês
Publicado: MDPI 2019
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6539043/
https://ncbi.nlm.nih.gov/pubmed/31083440
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms20092328
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