Auxiliary Material: biological_serum_38

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine31.028.0
HMDB00008 2-Hydroxybutyrate11.913.8
HMDB00042 Acetic acid31.836.6
HMDB00043 Betaine18.217.0
HMDB00060 Acetoacetate0.00.5
HMDB00062 L-Carnitine15.414.3
HMDB00064 Creatine6.910.2
HMDB00094 Citric acid84.075.7
HMDB00097 Choline4.67.9
HMDB00108 Ethanol8.25.4
HMDB00122 D-Glucose3531.23553.1
HMDB00123 Glycine81.5107.5
HMDB00131 Glycerol194.2174.0
HMDB00142 Formic acid9.10.0
HMDB00148 L-Glutamic acid53.777.1
HMDB00157 Hypoxanthine9.00.0
HMDB00158 L-Tyrosine45.243.6
HMDB00159 L-Phenylalanine39.144.4
HMDB00161 L-Alanine326.2322.3
HMDB00162 L-Proline109.2127.4
HMDB00167 L-Threonine113.993.2
HMDB00168 L-Asparagine10.70.0
HMDB00172 L-Isoleucine33.140.3
HMDB00177 L-Histidine29.929.4
HMDB00182 Lysine80.578.0
HMDB00187 L-Serine169.471.6
HMDB00190 L-Lactic acid1228.71417.5
HMDB00191 L-Aspartic acid30.90.0
HMDB00214 Ornithine8.734.6
HMDB00243 Pyruvic acid52.154.1
HMDB00254 Succinic acid3.24.3
HMDB00357 3-Hydroxybutyric acid23.126.3
HMDB00517 L-Arginine49.773.3
HMDB00562 Creatinine44.645.2
HMDB00641 L-Glutamine266.3314.2
HMDB00687 L-Leucine80.585.3
HMDB00691 Malonic acid4.77.6
HMDB00696 L-Methionine19.514.8
HMDB00863 Isopropanol6.75.8
HMDB00883 L-Valine111.0123.4
HMDB00929 L-Tryptophan15.20.0
HMDB01659 Acetone15.315.2
HMDB01873 Isobutyric acid4.35.9
HMDB01875 Methanol57.150.8
HMDB01881 Propylene glycol0.05.2
HMDB04983 Dimethylsulfone1.43.5