Auxiliary Material: biological_serum_35

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine33.321.1
HMDB00008 2-Hydroxybutyrate27.138.5
HMDB00042 Acetic acid50.259.7
HMDB00043 Betaine14.217.5
HMDB00060 Acetoacetate0.01.4
HMDB00062 L-Carnitine24.924.1
HMDB00064 Creatine44.859.8
HMDB00094 Citric acid81.472.0
HMDB00097 Choline14.819.7
HMDB00108 Ethanol17.17.1
HMDB00122 D-Glucose3737.84102.9
HMDB00123 Glycine68.1102.3
HMDB00131 Glycerol126.6189.7
HMDB00142 Formic acid12.69.3
HMDB00148 L-Glutamic acid105.9112.1
HMDB00157 Hypoxanthine12.811.7
HMDB00158 L-Tyrosine58.563.4
HMDB00159 L-Phenylalanine51.956.1
HMDB00161 L-Alanine293.5287.1
HMDB00162 L-Proline86.798.9
HMDB00167 L-Threonine125.0119.5
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine46.974.8
HMDB00177 L-Histidine49.554.8
HMDB00182 Lysine103.374.0
HMDB00187 L-Serine250.0115.3
HMDB00190 L-Lactic acid1100.51209.9
HMDB00191 L-Aspartic acid27.80.0
HMDB00214 Ornithine0.039.2
HMDB00243 Pyruvic acid24.923.9
HMDB00254 Succinic acid2.64.1
HMDB00357 3-Hydroxybutyric acid20.625.3
HMDB00517 L-Arginine53.078.9
HMDB00562 Creatinine38.239.7
HMDB00641 L-Glutamine272.7302.7
HMDB00687 L-Leucine87.8100.6
HMDB00691 Malonic acid3.810.6
HMDB00696 L-Methionine19.417.8
HMDB00863 Isopropanol13.312.3
HMDB00883 L-Valine166.3195.0
HMDB00929 L-Tryptophan10.10.0
HMDB01659 Acetone15.616.1
HMDB01873 Isobutyric acid7.911.3
HMDB01875 Methanol56.352.2
HMDB01881 Propylene glycol0.05.4
HMDB04983 Dimethylsulfone3.67.6