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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...

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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Liu, Youzhong, Mrzic, Aida, Meysman, Pieter, De Vijlder, Thomas, Romijn, Edwin P., Valkenborg, Dirk, Bittremieux, Wout, Laukens, Kris
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2020
Assuntos:
Acesso em linha: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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