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Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts
A series of pyrrole derivatives and their antioxidant scavenging activities toward the superoxide anion (O(2)(•−)), hydroxyl radical ((•)OH), and 1,1-diphenyl-2-picryl-hydrazyl (DPPH(•)) served as the training data sets of a quantitative structure–activity relationship (QSAR) study. The steric and e...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9959680/ https://www.ncbi.nlm.nih.gov/pubmed/36838583 http://dx.doi.org/10.3390/molecules28041596 |