Two data pre-processing workflows to facilitate the discovery of biomarkers by 2D NMR metabolomics

ConclusionIn conclusion, it is shown that no solution can be universally the best in every case, but that 2D experiments allow to clearly find relevant cross peak biomarkers even with a poor initial separability between groups. The MIC measures linked with the candidate workflows (2D GPL, 2D vectorization, 1D, and with specific parameters) lead to visualize which data set must be used as a priority to more easily find biomarkers. The diversity of data sources, mainly 1D versus 2D, may often lead to complementary or confirmatory results.

Source: Metabolomics - April 15, 2019 Category: Biology Source Type: research