Roberts, Ivayla
Wright Muelas, Marina http://orcid.org/0000-0002-4775-4358
Taylor, Joseph M.
Davison, Andrew S.
Xu, Yun
Grixti, Justine M.
Gotts, Nigel
Sorokin, Anatolii
Goodacre, Royston
Kell, Douglas B.
Funding for this research was provided by:
Novo Nordisk Fonden (NNF20CC0035580)
Biotechnology and Biological Sciences Research Council (BB/V003976/1)
Article History
Received: 20 August 2021
Accepted: 29 November 2021
First Online: 20 December 2021
Declarations
:
: All authors declare that they have no conflict of interest.
: UHPLC-MS data for the discovery and validation studies in mzML format is freely available at MetaboLights repository (Haug et al., CitationRef removed) with study identifier MTBLS2997 (ExternalRef removed). The code covering data normalization, predictive models and basic visualizations is available at ExternalRef removed. Multiblock PCA analysis can be found at ExternalRef removed.