Auxiliary Material: biological_serum_44

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine46.521.5
HMDB00008 2-Hydroxybutyrate14.622.2
HMDB00042 Acetic acid44.452.3
HMDB00043 Betaine13.213.9
HMDB00060 Acetoacetate0.01.5
HMDB00062 L-Carnitine31.226.9
HMDB00064 Creatine32.041.2
HMDB00094 Citric acid67.962.0
HMDB00097 Choline6.38.2
HMDB00108 Ethanol74.477.0
HMDB00122 D-Glucose3743.83891.6
HMDB00123 Glycine234.6263.3
HMDB00131 Glycerol120.9150.3
HMDB00142 Formic acid11.59.3
HMDB00148 L-Glutamic acid67.361.0
HMDB00157 Hypoxanthine8.60.0
HMDB00158 L-Tyrosine39.426.9
HMDB00159 L-Phenylalanine37.833.3
HMDB00161 L-Alanine254.7255.4
HMDB00162 L-Proline77.492.0
HMDB00167 L-Threonine124.8111.3
HMDB00168 L-Asparagine0.017.2
HMDB00172 L-Isoleucine30.346.5
HMDB00177 L-Histidine51.954.2
HMDB00182 Lysine95.472.4
HMDB00187 L-Serine166.9123.6
HMDB00190 L-Lactic acid1250.71422.6
HMDB00191 L-Aspartic acid32.212.1
HMDB00214 Ornithine1.343.2
HMDB00243 Pyruvic acid53.254.9
HMDB00254 Succinic acid2.63.0
HMDB00357 3-Hydroxybutyric acid44.845.8
HMDB00517 L-Arginine54.366.8
HMDB00562 Creatinine51.555.7
HMDB00641 L-Glutamine288.3291.5
HMDB00687 L-Leucine75.486.2
HMDB00691 Malonic acid9.717.2
HMDB00696 L-Methionine18.016.2
HMDB00863 Isopropanol4.64.0
HMDB00883 L-Valine140.4157.0
HMDB00929 L-Tryptophan15.50.0
HMDB01659 Acetone22.923.3
HMDB01873 Isobutyric acid3.15.6
HMDB01875 Methanol115.1113.3
HMDB01881 Propylene glycol0.010.9
HMDB04983 Dimethylsulfone1.24.7