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MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra

Despite the increasing importance of non-targeted metabolomics to answer various life science questions, extracting biochemically relevant information from metabolomics spectral data is still an incompletely solved problem. Most computational tools to identify tandem mass spectra focus on a limited...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:PLoS One
Hauptverfasser: Liu, Youzhong, Mrzic, Aida, Meysman, Pieter, De Vijlder, Thomas, Romijn, Edwin P., Valkenborg, Dirk, Bittremieux, Wout, Laukens, Kris
Format: Artigo
Sprache:Inglês
Veröffentlicht: Public Library of Science 2020
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6964822/
https://ncbi.nlm.nih.gov/pubmed/31945070
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0226770
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