Scaffold fragmentation and substructure hopping reveal potential, robustness, and limits of computer-aided pattern analysis (C@PA)

Computer-aided pattern analysis (C@PA) was recently presented as a powerful tool to predict multitarget ABC transporter inhibitors. The backbone of this computational methodology was the statistical analysis of frequently occurring molecular features amongst a fixed set of reported small-molecules t...

Descripción completa

Detalles Bibliográficos
Autores principales: Namasivayam, Vigneshwaran, Silbermann, Katja, Pahnke, Jens, Wiese, Michael, Stefan, Sven Marcel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8193046/
https://www.ncbi.nlm.nih.gov/pubmed/34141145
http://dx.doi.org/10.1016/j.csbj.2021.05.018

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8193046/
https://www.ncbi.nlm.nih.gov/pubmed/34141145
http://dx.doi.org/10.1016/j.csbj.2021.05.018

Ejemplares similares