Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds

The article describes a classification system termed “extended functional groups” (EFG), which are an extension of a set previously used by the CheckMol software, that covers in addition heterocyclic compound classes and periodic table groups. The functional groups are defined as SMARTS patterns and...

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Detalles Bibliográficos
Autores principales: Salmina, Elena S., Haider, Norbert, Tetko, Igor V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273096/
https://www.ncbi.nlm.nih.gov/pubmed/26703557
http://dx.doi.org/10.3390/molecules21010001

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273096/
https://www.ncbi.nlm.nih.gov/pubmed/26703557
http://dx.doi.org/10.3390/molecules21010001

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