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.

Xie, Wanting; Wiriyarattanakul, Sopon; Rungrotmongkol, Thanyada; Shi, Liyi; Wiriyarattanakul, Amphawan; Maitarad, Phornphimon

Xie, Wanting; Wiriyarattanakul, Sopon; Rungrotmongkol, Thanyada; Shi, Liyi; Wiriyarattanakul, Amphawan; Maitarad, Phornphimon.

Afiliación

Xie W; Research Center of Nano Science and Technology, College of Sciences, Shanghai University, Shanghai 200444, China.
Wiriyarattanakul S; Program in Computer Science, Faculty of Science and Technology, Uttaradit Rajabhat University, Uttaradit 53000, Thailand.
Rungrotmongkol T; Center of Excellence in Structural and Computational Biology, Department of Biochemistry, Chulalongkorn University, Bangkok 10330, Thailand.
Shi L; Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok 10330, Thailand.
Wiriyarattanakul A; Research Center of Nano Science and Technology, College of Sciences, Shanghai University, Shanghai 200444, China.
Maitarad P; Emerging Industries Institute, Shanghai University, Jiaxing 314006, China.

Molecules ; 28(4)2023 Feb 07.

Article en En | MEDLINE | ID: mdl-36838583

Asunto(s)

Antioxidantes; Relación Estructura-Actividad Cuantitativa; Modelos Lineales; Algoritmos; Redes Neurales de la Computación

Palabras clave

QSAR-ANN; QSAR-GA-MLR; antioxidants; pyrrole; radical scavenging activities

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Relación Estructura-Actividad Cuantitativa / Antioxidantes Tipo de estudio: Prognostic_studies Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2023 Tipo del documento: Article País de afiliación: China

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google