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Support vector regression-based QSAR models for prediction of antioxidant activity of phenolic compounds
The Support vector regression (SVR) was used to investigate quantitative structure–activity relationships (QSAR) of 75 phenolic compounds with Trolox-equivalent antioxidant capacity (TEAC). Geometric structures were optimized at the EF level of the MOPAC software program. Using Pearson correlation c...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8062522/ https://www.ncbi.nlm.nih.gov/pubmed/33888843 http://dx.doi.org/10.1038/s41598-021-88341-1 |