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Published in 2020 at "Scientific Reports"
DOI: 10.1038/s41598-020-63036-1
Abstract: Metabolite identification is the greatest challenge when analysing metabolomics data, as only a small proportion of metabolite reference standards exist. Clustering MS/MS spectra is a common method to identify similar compounds, however interrogation of underlying…
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Keywords:
metabolome identifies;
spectra firefly;
identifies new;
hierarchical clustering ... See more keywords