ChemSpaX: exploration of chemical space by automated functionalization of molecular scaffold

Exploration of the local chemical space of molecular scaffolds by post-functionalization (PF) is a promising route to discover novel molecules with desired structure and function. PF with rationally chosen substituents based on known electronic and steric properties is a commonly used experimental a...

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Detalles Bibliográficos
Autores principales: Kalikadien, Adarsh V., Pidko, Evgeny A., Sinha, Vivek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8887922/
https://www.ncbi.nlm.nih.gov/pubmed/35340336
http://dx.doi.org/10.1039/d1dd00017a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8887922/
https://www.ncbi.nlm.nih.gov/pubmed/35340336
http://dx.doi.org/10.1039/d1dd00017a

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