Auxiliary Material: biological_serum_33

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine17.524.8
HMDB00008 2-Hydroxybutyrate11.214.0
HMDB00042 Acetic acid48.055.6
HMDB00043 Betaine14.516.7
HMDB00060 Acetoacetate0.01.0
HMDB00062 L-Carnitine20.318.6
HMDB00064 Creatine19.929.4
HMDB00094 Citric acid61.055.7
HMDB00097 Choline6.47.4
HMDB00108 Ethanol19.420.6
HMDB00122 D-Glucose2711.62679.0
HMDB00123 Glycine129.2144.2
HMDB00131 Glycerol78.488.1
HMDB00142 Formic acid14.00.0
HMDB00148 L-Glutamic acid75.685.9
HMDB00157 Hypoxanthine9.90.0
HMDB00158 L-Tyrosine39.335.8
HMDB00159 L-Phenylalanine32.529.9
HMDB00161 L-Alanine237.4239.5
HMDB00162 L-Proline105.390.3
HMDB00167 L-Threonine150.7101.0
HMDB00168 L-Asparagine26.00.0
HMDB00172 L-Isoleucine25.634.2
HMDB00177 L-Histidine56.038.6
HMDB00182 Lysine88.858.3
HMDB00187 L-Serine263.0107.4
HMDB00190 L-Lactic acid1898.82177.9
HMDB00191 L-Aspartic acid37.50.0
HMDB00214 Ornithine12.529.2
HMDB00243 Pyruvic acid33.131.0
HMDB00254 Succinic acid3.42.8
HMDB00357 3-Hydroxybutyric acid25.421.0
HMDB00517 L-Arginine58.969.4
HMDB00562 Creatinine42.644.2
HMDB00641 L-Glutamine249.8234.3
HMDB00687 L-Leucine54.854.8
HMDB00691 Malonic acid7.77.0
HMDB00696 L-Methionine13.115.8
HMDB00863 Isopropanol19.518.2
HMDB00883 L-Valine108.2117.9
HMDB00929 L-Tryptophan11.50.0
HMDB01659 Acetone20.720.4
HMDB01873 Isobutyric acid3.54.2
HMDB01875 Methanol197.4194.2
HMDB01881 Propylene glycol0.04.5
HMDB04983 Dimethylsulfone2.23.9