Template-based combinatorial enumeration of virtual compound libraries for lipids

A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds...

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Detalles Bibliográficos
Autores principales: Sud, Manish, Fahy, Eoin, Subramaniam, Shankar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3545849/
https://www.ncbi.nlm.nih.gov/pubmed/23006594
http://dx.doi.org/10.1186/1758-2946-4-23

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3545849/
https://www.ncbi.nlm.nih.gov/pubmed/23006594
http://dx.doi.org/10.1186/1758-2946-4-23

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