Auxiliary Material: biological_serum_23

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine20.529.7
HMDB00008 2-Hydroxybutyrate10.415.0
HMDB00042 Acetic acid34.840.0
HMDB00043 Betaine16.720.2
HMDB00060 Acetoacetate3.52.3
HMDB00062 L-Carnitine16.317.1
HMDB00064 Creatine4.310.4
HMDB00094 Citric acid77.872.3
HMDB00097 Choline7.89.2
HMDB00108 Ethanol5.45.9
HMDB00122 D-Glucose3542.33674.4
HMDB00123 Glycine150.3182.5
HMDB00131 Glycerol93.8108.4
HMDB00142 Formic acid13.70.0
HMDB00148 L-Glutamic acid52.372.2
HMDB00157 Hypoxanthine8.10.0
HMDB00158 L-Tyrosine34.729.2
HMDB00159 L-Phenylalanine40.341.7
HMDB00161 L-Alanine245.4243.7
HMDB00162 L-Proline93.080.9
HMDB00167 L-Threonine102.167.1
HMDB00168 L-Asparagine0.027.1
HMDB00172 L-Isoleucine27.140.1
HMDB00177 L-Histidine45.424.1
HMDB00182 Lysine61.948.9
HMDB00187 L-Serine121.692.1
HMDB00190 L-Lactic acid593.6645.9
HMDB00191 L-Aspartic acid29.40.0
HMDB00214 Ornithine0.016.3
HMDB00243 Pyruvic acid23.923.8
HMDB00254 Succinic acid4.75.3
HMDB00357 3-Hydroxybutyric acid20.619.9
HMDB00517 L-Arginine47.244.7
HMDB00562 Creatinine51.553.7
HMDB00641 L-Glutamine302.3321.4
HMDB00687 L-Leucine54.059.5
HMDB00691 Malonic acid7.911.5
HMDB00696 L-Methionine13.313.9
HMDB00863 Isopropanol7.97.0
HMDB00883 L-Valine104.5117.3
HMDB00929 L-Tryptophan14.00.0
HMDB01659 Acetone11.811.9
HMDB01873 Isobutyric acid1.72.7
HMDB01875 Methanol59.062.4
HMDB01881 Propylene glycol4.96.2
HMDB04983 Dimethylsulfone7.08.9