Auxiliary Material: biological_serum_12

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine64.212.7
HMDB00008 2-Hydroxybutyrate13.818.7
HMDB00042 Acetic acid44.849.4
HMDB00043 Betaine17.714.6
HMDB00060 Acetoacetate0.01.4
HMDB00062 L-Carnitine24.616.7
HMDB00064 Creatine35.442.6
HMDB00094 Citric acid73.361.2
HMDB00097 Choline5.26.6
HMDB00108 Ethanol15.011.0
HMDB00122 D-Glucose3313.33694.6
HMDB00123 Glycine131.3146.8
HMDB00131 Glycerol49.859.4
HMDB00142 Formic acid17.513.5
HMDB00148 L-Glutamic acid48.173.0
HMDB00157 Hypoxanthine8.30.0
HMDB00158 L-Tyrosine35.632.8
HMDB00159 L-Phenylalanine39.840.7
HMDB00161 L-Alanine262.5251.6
HMDB00162 L-Proline130.4113.2
HMDB00167 L-Threonine100.598.3
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine28.137.9
HMDB00177 L-Histidine26.457.2
HMDB00182 Lysine82.481.7
HMDB00187 L-Serine224.7109.0
HMDB00190 L-Lactic acid2499.12815.0
HMDB00191 L-Aspartic acid43.70.0
HMDB00214 Ornithine0.026.4
HMDB00243 Pyruvic acid54.153.0
HMDB00254 Succinic acid1.62.1
HMDB00357 3-Hydroxybutyric acid35.234.0
HMDB00517 L-Arginine51.860.0
HMDB00562 Creatinine34.136.7
HMDB00641 L-Glutamine282.3286.4
HMDB00687 L-Leucine58.359.0
HMDB00691 Malonic acid11.99.6
HMDB00696 L-Methionine10.015.7
HMDB00863 Isopropanol8.86.3
HMDB00883 L-Valine111.0126.3
HMDB00929 L-Tryptophan19.90.0
HMDB01659 Acetone16.114.7
HMDB01873 Isobutyric acid6.16.5
HMDB01875 Methanol78.481.5
HMDB01881 Propylene glycol6.44.5
HMDB04983 Dimethylsulfone4.05.0