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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Detalhes bibliográficos
Publicado no:PLoS Comput Biol
Main Authors: 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: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2018
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5927460/
https://ncbi.nlm.nih.gov/pubmed/29668671
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1006089
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