Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics

[Image: see text] 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 feature...

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Detalhes bibliográficos
Publicado no:Anal Chem
Main Authors: van der Hooft, Justin J. J., Wandy, Joe, Young, Francesca, Padmanabhan, Sandosh, Gerasimidis, Konstantinos, Burgess, Karl E. V., Barrett, Michael P., Rogers, Simon
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5524435/
https://ncbi.nlm.nih.gov/pubmed/28621528
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.analchem.7b01391
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