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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Bibliografski detalji
Izdano u:PLoS One
Glavni autori: Liu, Youzhong, Mrzic, Aida, Meysman, Pieter, De Vijlder, Thomas, Romijn, Edwin P., Valkenborg, Dirk, Bittremieux, Wout, Laukens, Kris
Format: Artigo
Jezik:Inglês
Izdano: Public Library of Science 2020
Teme:
Research Article
Online pristup: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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