Identification of metabolites from tandem mass spectra with a machine learning approach utilizing structural features

MOTIVATION: Untargeted mass spectrometry (MS/MS) is a powerful method for detecting metabolites in biological samples. However, fast and accurate identification of the metabolites’ structures from MS/MS spectra is still a great challenge. RESULTS: We present a new analysis method, called SubFragment...

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Detalles Bibliográficos
Autores principales: Li, Yuanyue, Kuhn, Michael, Gavin, Anne-Claude, Bork, Peer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Original Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7703789/
https://www.ncbi.nlm.nih.gov/pubmed/31605112
http://dx.doi.org/10.1093/bioinformatics/btz736

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7703789/
https://www.ncbi.nlm.nih.gov/pubmed/31605112
http://dx.doi.org/10.1093/bioinformatics/btz736

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