Automated analysis of large-scale NMR data generates metabolomic signatures and links them to candidate metabolites
Bita Khalili, Mattia Tomasoni, Mirjam Mattei, Roger Mallol, Reyhan Sönmez, Daniel Krefl, Rico Rueedi, Sven Bergmann
The paper evaluates three NMR analysis tools for metabolite identification in human urine, finding ISA and ACP robustly identify metabolites while PCA fails.
Journal of Proteome Research · Jul 18, 2019Peer-reviewedBioinformatics