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Identified Isosteric Replacements of Ligands’ Glycosyl Domain by Data Mining

[Image: see text] Biologically equivalent replacements of key moieties in molecules rationalize scaffold hopping, patent busting, or R-group enumeration. Yet, this information may depend upon the expert-defined space, and might be subjective and biased toward the chemistries they get used to. Most i...

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Detalles Bibliográficos
Autores principales: Zhang, Tinghao, Jiang, Shenghao, Li, Ting, Liu, Yan, Zhang, Yuezhou
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10357434/
https://www.ncbi.nlm.nih.gov/pubmed/37483233
http://dx.doi.org/10.1021/acsomega.3c02243