Cargando…

Development of QSRR model for hydroxamic acids using PCA-GA-BP algorithm incorporated with molecular interaction-based features

As a potent zinc chelator, hydroxamic acid has been applied in the design of inhibitors of zinc metalloenzyme, such as histone deacetylases (HDACs). A series of hydroxamic acids with HDAC inhibitory activities were subjected to the QSRR (Quantitative Structure–Retention Relationships) study. Experim...

Descripción completa

Detalles Bibliográficos
Autores principales: Nie, Yiming, Li, Jia, Yang, Xinying, Hou, Xuben, Fang, Hao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722961/
https://www.ncbi.nlm.nih.gov/pubmed/36482937
http://dx.doi.org/10.3389/fchem.2022.1056701

Ejemplares similares