Searchable database of frequent R-groups in medicinal chemistry and their preferred replacements

In compound optimization, analogue series (ASs) are generated by introducing different R-groups (substituents, functional groups) at specific substitution sites. Systematic investigations of R-groups in medicinal chemistry have so far been rare. We have carried out a large-scale computational analys...

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Detalles Bibliográficos
Autores principales: Takeuchi, Kosuke, Kunimoto, Ryo, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8517848/
https://www.ncbi.nlm.nih.gov/pubmed/34692956
http://dx.doi.org/10.1016/j.dib.2021.107456

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8517848/
https://www.ncbi.nlm.nih.gov/pubmed/34692956
http://dx.doi.org/10.1016/j.dib.2021.107456

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