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Metabolite quantification software tools | NMR-based metabolomics data analysis

Recent advances in metabolomics have enabled investigation of human diseases at metabolite level, revealing mechanistic and diagnostic information. High-throughput metabolic phenotyping in epidemiological studies has identified several molecular species present in complex biofluids as being associated with disease risk. Metabolomics therefore provides a useful tool in systems biology research. Due to its quantitative nature, nuclear magnetic resonance (NMR) is considered one of the key analytical platforms for metabolomics.

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(Rohnisch., 2017) AQuA – an automated quantification algorithm for high-throughput NMR-based metabolomics and its application in human plasma. Analytical chemistry.

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