Cargando…

Adapting the DeepSARM approach for dual-target ligand design

The structure–activity relationship (SAR) matrix (SARM) methodology and data structure was originally developed to extract structurally related compound series from data sets of any composition, organize these series in matrices reminiscent of R-group tables, and visualize SAR patterns. The SARM app...

Descripción completa

Detalles Bibliográficos
Autores principales: Yoshimori, Atsushi, Hu, Huabin, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8131309/
https://www.ncbi.nlm.nih.gov/pubmed/33712972
http://dx.doi.org/10.1007/s10822-021-00379-5