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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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| Veröffentlicht in: | Bioinformatics |
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| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Oxford University Press
2020
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7703789/ https://ncbi.nlm.nih.gov/pubmed/31605112 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btz736 |
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