Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics
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DOI: 10.1021/acs.analchem.7b01391
Abstract: In untargeted metabolomics approaches, the inability to structurally annotate relevant features and map them to biochemical pathways is hampering the full exploitation of many metabolomics experiments. Furthermore, variable metabolic content across samples result in sparse… read more here.
Keywords: discovery comparison; unsupervised discovery; structural families; untargeted metabolomics ... See more keywords