Cargando…
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...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2020
|
| Materias: | |
| 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 |