Auxiliary Material: biological_serum_42

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine39.529.2
HMDB00008 2-Hydroxybutyrate22.425.5
HMDB00042 Acetic acid54.256.6
HMDB00043 Betaine21.723.2
HMDB00060 Acetoacetate3.51.0
HMDB00062 L-Carnitine21.522.1
HMDB00064 Creatine24.431.2
HMDB00094 Citric acid79.771.8
HMDB00097 Choline8.39.3
HMDB00108 Ethanol7.05.8
HMDB00122 D-Glucose3572.43563.6
HMDB00123 Glycine98.6116.4
HMDB00131 Glycerol99.7106.3
HMDB00142 Formic acid10.50.0
HMDB00148 L-Glutamic acid72.572.6
HMDB00157 Hypoxanthine11.60.0
HMDB00158 L-Tyrosine37.431.5
HMDB00159 L-Phenylalanine37.436.0
HMDB00161 L-Alanine273.3279.8
HMDB00162 L-Proline74.779.9
HMDB00167 L-Threonine137.688.3
HMDB00168 L-Asparagine29.00.0
HMDB00172 L-Isoleucine32.041.6
HMDB00177 L-Histidine30.226.4
HMDB00182 Lysine99.376.8
HMDB00187 L-Serine267.480.6
HMDB00190 L-Lactic acid2466.42811.7
HMDB00191 L-Aspartic acid45.60.0
HMDB00214 Ornithine0.026.1
HMDB00243 Pyruvic acid44.346.5
HMDB00254 Succinic acid2.63.8
HMDB00357 3-Hydroxybutyric acid57.452.1
HMDB00517 L-Arginine61.687.8
HMDB00562 Creatinine36.234.9
HMDB00641 L-Glutamine299.6317.9
HMDB00687 L-Leucine64.473.8
HMDB00691 Malonic acid5.410.4
HMDB00696 L-Methionine20.416.8
HMDB00863 Isopropanol16.716.4
HMDB00883 L-Valine114.8126.6
HMDB00929 L-Tryptophan14.60.0
HMDB01659 Acetone25.726.5
HMDB01873 Isobutyric acid3.24.3
HMDB01875 Methanol41.840.9
HMDB01881 Propylene glycol29.930.5
HMDB04983 Dimethylsulfone2.03.7