Scaffold-Hopping from Synthetic Drugs by Holistic Molecular Representation

The discovery of novel ligand chemotypes allows to explore uncharted regions in chemical space, thereby potentially improving synthetic accessibility, potency, and the drug-likeness of molecules. Here, we demonstrate the scaffold-hopping ability of the new Weighted Holistic Atom Localization and Ent...

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Detalles Bibliográficos
Autores principales: Grisoni, Francesca, Merk, Daniel, Byrne, Ryan, Schneider, Gisbert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6220272/
https://www.ncbi.nlm.nih.gov/pubmed/30405170
http://dx.doi.org/10.1038/s41598-018-34677-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6220272/
https://www.ncbi.nlm.nih.gov/pubmed/30405170
http://dx.doi.org/10.1038/s41598-018-34677-0

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