Auxiliary Material: biological_serum_3

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine51.820.2
HMDB00008 2-Hydroxybutyrate16.315.4
HMDB00042 Acetic acid60.664.4
HMDB00043 Betaine19.825.6
HMDB00060 Acetoacetate0.00.8
HMDB00062 L-Carnitine27.720.7
HMDB00064 Creatine19.729.1
HMDB00094 Citric acid79.274.2
HMDB00097 Choline11.313.4
HMDB00108 Ethanol10.96.9
HMDB00122 D-Glucose3799.54114.1
HMDB00123 Glycine144.8173.7
HMDB00131 Glycerol44.867.1
HMDB00142 Formic acid8.70.0
HMDB00148 L-Glutamic acid86.383.1
HMDB00157 Hypoxanthine10.80.0
HMDB00158 L-Tyrosine24.122.3
HMDB00159 L-Phenylalanine43.638.5
HMDB00161 L-Alanine373.9377.3
HMDB00162 L-Proline100.782.6
HMDB00167 L-Threonine92.8109.5
HMDB00168 L-Asparagine27.90.0
HMDB00172 L-Isoleucine32.440.5
HMDB00177 L-Histidine22.042.5
HMDB00182 Lysine89.874.8
HMDB00187 L-Serine325.0120.7
HMDB00190 L-Lactic acid1835.22080.4
HMDB00191 L-Aspartic acid50.024.0
HMDB00214 Ornithine5.941.7
HMDB00243 Pyruvic acid41.941.1
HMDB00254 Succinic acid3.94.2
HMDB00357 3-Hydroxybutyric acid16.716.7
HMDB00517 L-Arginine51.740.1
HMDB00562 Creatinine33.736.2
HMDB00641 L-Glutamine273.9263.7
HMDB00687 L-Leucine66.969.8
HMDB00691 Malonic acid10.715.1
HMDB00696 L-Methionine8.812.3
HMDB00863 Isopropanol19.118.5
HMDB00883 L-Valine122.4143.1
HMDB00929 L-Tryptophan10.50.0
HMDB01659 Acetone12.010.8
HMDB01873 Isobutyric acid2.13.6
HMDB01875 Methanol57.549.8
HMDB01881 Propylene glycol1.96.0
HMDB04983 Dimethylsulfone0.53.6