Auxiliary Material: biological_serum_21

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine42.024.5
HMDB00008 2-Hydroxybutyrate20.424.4
HMDB00042 Acetic acid41.046.8
HMDB00043 Betaine13.113.0
HMDB00060 Acetoacetate0.02.2
HMDB00062 L-Carnitine23.326.0
HMDB00064 Creatine35.840.6
HMDB00094 Citric acid96.082.9
HMDB00097 Choline7.58.3
HMDB00108 Ethanol14.216.0
HMDB00122 D-Glucose3563.73749.7
HMDB00123 Glycine132.8155.8
HMDB00131 Glycerol170.0150.4
HMDB00142 Formic acid13.09.8
HMDB00148 L-Glutamic acid35.856.7
HMDB00157 Hypoxanthine9.50.0
HMDB00158 L-Tyrosine35.238.3
HMDB00159 L-Phenylalanine36.632.1
HMDB00161 L-Alanine239.1231.8
HMDB00162 L-Proline85.755.1
HMDB00167 L-Threonine119.199.1
HMDB00168 L-Asparagine60.430.9
HMDB00172 L-Isoleucine31.143.5
HMDB00177 L-Histidine45.137.5
HMDB00182 Lysine64.586.2
HMDB00187 L-Serine346.976.8
HMDB00190 L-Lactic acid591.8646.0
HMDB00191 L-Aspartic acid46.20.0
HMDB00214 Ornithine0.022.3
HMDB00243 Pyruvic acid22.926.6
HMDB00254 Succinic acid4.24.3
HMDB00357 3-Hydroxybutyric acid106.5118.3
HMDB00517 L-Arginine64.676.4
HMDB00562 Creatinine53.749.7
HMDB00641 L-Glutamine290.8324.9
HMDB00687 L-Leucine75.184.5
HMDB00691 Malonic acid10.714.5
HMDB00696 L-Methionine14.416.2
HMDB00863 Isopropanol7.16.5
HMDB00883 L-Valine126.9142.1
HMDB00929 L-Tryptophan16.40.0
HMDB01659 Acetone30.130.6
HMDB01873 Isobutyric acid4.85.7
HMDB01875 Methanol91.286.6
HMDB01881 Propylene glycol6.59.1
HMDB04983 Dimethylsulfone1.23.3