Auxiliary Material: biological_serum_29

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine47.124.6
HMDB00008 2-Hydroxybutyrate15.719.6
HMDB00042 Acetic acid36.140.8
HMDB00043 Betaine8.715.6
HMDB00060 Acetoacetate0.03.5
HMDB00062 L-Carnitine16.314.5
HMDB00064 Creatine37.147.4
HMDB00094 Citric acid72.365.1
HMDB00097 Choline4.96.6
HMDB00108 Ethanol16.918.8
HMDB00122 D-Glucose3541.03547.5
HMDB00123 Glycine151.9173.2
HMDB00131 Glycerol170.8154.9
HMDB00142 Formic acid14.513.7
HMDB00148 L-Glutamic acid45.054.8
HMDB00157 Hypoxanthine6.40.0
HMDB00158 L-Tyrosine41.641.6
HMDB00159 L-Phenylalanine35.534.6
HMDB00161 L-Alanine223.2220.5
HMDB00162 L-Proline102.475.9
HMDB00167 L-Threonine164.183.3
HMDB00168 L-Asparagine1.627.3
HMDB00172 L-Isoleucine33.648.6
HMDB00177 L-Histidine14.753.1
HMDB00182 Lysine95.785.9
HMDB00187 L-Serine212.981.1
HMDB00190 L-Lactic acid817.5922.8
HMDB00191 L-Aspartic acid33.917.1
HMDB00214 Ornithine6.930.8
HMDB00243 Pyruvic acid31.730.3
HMDB00254 Succinic acid3.74.6
HMDB00357 3-Hydroxybutyric acid20.017.6
HMDB00517 L-Arginine49.748.3
HMDB00562 Creatinine44.342.6
HMDB00641 L-Glutamine366.2359.4
HMDB00687 L-Leucine65.877.6
HMDB00691 Malonic acid12.810.7
HMDB00696 L-Methionine10.210.4
HMDB00863 Isopropanol16.316.4
HMDB00883 L-Valine130.8144.0
HMDB00929 L-Tryptophan9.70.0
HMDB01659 Acetone14.514.7
HMDB01873 Isobutyric acid4.57.4
HMDB01875 Methanol122.3110.6
HMDB01881 Propylene glycol3.76.4
HMDB04983 Dimethylsulfone2.14.7