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RMol: a toolset for transforming SD/Molfile structure information into R objects

BACKGROUND: The graph-theoretical analysis of molecular networks has a long tradition in chemoinformatics. As demonstrated frequently, a well designed format to encode chemical structures and structure-related information of organic compounds is the Molfile format. But when it comes to use modern pr...

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Detalles Bibliográficos
Autores principales: Grabner, Martin, Varmuza, Kurt, Dehmer, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3599689/
https://www.ncbi.nlm.nih.gov/pubmed/23151338
http://dx.doi.org/10.1186/1751-0473-7-12

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