Auxiliary Material: biological_serum_34

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine85.639.0
HMDB00008 2-Hydroxybutyrate17.825.4
HMDB00042 Acetic acid40.345.1
HMDB00043 Betaine15.223.6
HMDB00060 Acetoacetate0.02.0
HMDB00062 L-Carnitine29.719.8
HMDB00064 Creatine23.643.7
HMDB00094 Citric acid73.857.8
HMDB00097 Choline7.98.2
HMDB00108 Ethanol6.715.9
HMDB00122 D-Glucose5023.65286.9
HMDB00123 Glycine88.0127.7
HMDB00131 Glycerol128.082.1
HMDB00142 Formic acid14.514.0
HMDB00148 L-Glutamic acid73.877.0
HMDB00157 Hypoxanthine4.10.0
HMDB00158 L-Tyrosine29.232.4
HMDB00159 L-Phenylalanine39.943.3
HMDB00161 L-Alanine261.0268.7
HMDB00162 L-Proline90.390.9
HMDB00167 L-Threonine83.3102.0
HMDB00168 L-Asparagine28.70.0
HMDB00172 L-Isoleucine27.138.3
HMDB00177 L-Histidine8.120.1
HMDB00182 Lysine109.889.3
HMDB00187 L-Serine237.099.6
HMDB00190 L-Lactic acid1176.61325.3
HMDB00191 L-Aspartic acid29.70.0
HMDB00214 Ornithine0.025.5
HMDB00243 Pyruvic acid72.974.0
HMDB00254 Succinic acid3.12.8
HMDB00357 3-Hydroxybutyric acid14.815.9
HMDB00517 L-Arginine42.779.1
HMDB00562 Creatinine43.440.8
HMDB00641 L-Glutamine211.0223.7
HMDB00687 L-Leucine58.364.4
HMDB00691 Malonic acid10.48.4
HMDB00696 L-Methionine16.810.0
HMDB00863 Isopropanol10.910.2
HMDB00883 L-Valine125.1139.7
HMDB00929 L-Tryptophan13.20.0
HMDB01659 Acetone15.416.1
HMDB01873 Isobutyric acid4.64.9
HMDB01875 Methanol85.987.5
HMDB01881 Propylene glycol0.09.1
HMDB04983 Dimethylsulfone3.35.1