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Propagating annotations of molecular networks using in silico fragmentation

The annotation of small molecules is one of the most challenging and important steps in untargeted mass spectrometry analysis, as most of our biological interpretations rely on structural annotations. Molecular networking has emerged as a structured way to organize and mine data from untargeted tand...

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Detalles Bibliográficos
Autores principales: da Silva, Ricardo R., Wang, Mingxun, Nothias, Louis-Félix, van der Hooft, Justin J. J., Caraballo-Rodríguez, Andrés Mauricio, Fox, Evan, Balunas, Marcy J., Klassen, Jonathan L., Lopes, Norberto Peporine, Dorrestein, Pieter C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5927460/
https://www.ncbi.nlm.nih.gov/pubmed/29668671
http://dx.doi.org/10.1371/journal.pcbi.1006089