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...

Descripción completa

Detalles Bibliográficos
Autores principales: Xie, Wanting, Wiriyarattanakul, Sopon, Rungrotmongkol, Thanyada, Shi, Liyi, Wiriyarattanakul, Amphawan, Maitarad, Phornphimon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9959680/
https://www.ncbi.nlm.nih.gov/pubmed/36838583
http://dx.doi.org/10.3390/molecules28041596

Ejemplares similares