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Beilstein J. Org. Chem. 2023, 19, 1825–1831, doi:10.3762/bjoc.19.134
Graphical Abstract
Figure 1: (a) Fingerprint of an unknown monosaccharide. (b) Labelled reference spectra of monosaccharide stan...
Figure 2: Typical experimental MS–IR spectra of the four categories of monosaccharides included in the first ...
Figure 3: Synthetic IRMPD spectrum (grey trace) generated on the basis of a high resolution endogeneous exper...
Figure 4: Model accuracy dependance with experimental conditions, represented by the dataset augmentation par...
Figure 5: DNN Prediction results for third endogenous dataset (5 hexosamine samples and 7 other molecules). T...