Abstract
4000 NMR serum and plasma spectra, was evaluated using an additional >8800 spectra, yielding an assignment accuracy greater than 99.5% for all 22 metabolites targeted. Further validation of its quantitation capabilities illustrated a reliable performance among challenging phenotypes. The simplicity and complete automation of the approach support the application of NMR-based metabolite panel measurements in clinical and population screening applications.
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CITATION STYLE
Takis, P. G., Jiménez, B., Al-Saffar, N. M. S., Harvey, N., Chekmeneva, E., Misra, S., & Lewis, M. R. (2021). A Computationally Lightweight Algorithm for Deriving Reliable Metabolite Panel Measurements from 1D 1H NMR. Analytical Chemistry, 93(12), 4995–5000. https://doi.org/10.1021/acs.analchem.1c00113
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