Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search

[Image: see text] Fragment merging is a promising approach to progressing fragments directly to on-scale potency: each designed compound incorporates the structural motifs of overlapping fragments in a way that ensures compounds recapitulate multiple high-quality interactions. Searching commercial c...

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Detalles Bibliográficos
Autores principales: Wills, Stephanie, Sanchez-Garcia, Ruben, Dudgeon, Tim, Roughley, Stephen D., Merritt, Andy, Hubbard, Roderick E., Davidson, James, von Delft, Frank, Deane, Charlotte M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268959/
https://www.ncbi.nlm.nih.gov/pubmed/37229647
http://dx.doi.org/10.1021/acs.jcim.3c00276

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268959/
https://www.ncbi.nlm.nih.gov/pubmed/37229647
http://dx.doi.org/10.1021/acs.jcim.3c00276

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