Article

Automated analysis of large-scale NMR data generates metabolomic signatures and links them to candidate metabolites

2019-04-18

Abstract excerpt

Identification of metabolites in large-scale 1 H NMR data from human biofluids remains challenging due to the complexity of the spectra and their sensitivity to pH and ionic concentrations. In this work, we test the capacity of three analysis tools to extract metabolite signatures from 968 NMR profiles of human urine samples. Specifically, we studied sets of co-varying features derived from Principal Component An...

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Literature Corpus work: a68edafb-7ef3-5780-8138-04f9c5479689
DOI: 10.1101/613935

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