Auxiliary Material: biological_serum_25

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine16.521.9
HMDB00008 2-Hydroxybutyrate7.79.4
HMDB00042 Acetic acid37.245.0
HMDB00043 Betaine19.915.2
HMDB00060 Acetoacetate0.05.2
HMDB00062 L-Carnitine22.020.0
HMDB00064 Creatine20.427.5
HMDB00094 Citric acid78.168.2
HMDB00097 Choline6.48.2
HMDB00108 Ethanol16.116.1
HMDB00122 D-Glucose3362.63726.6
HMDB00123 Glycine114.5139.7
HMDB00131 Glycerol63.075.2
HMDB00142 Formic acid7.70.0
HMDB00148 L-Glutamic acid41.947.6
HMDB00157 Hypoxanthine8.60.0
HMDB00158 L-Tyrosine30.838.2
HMDB00159 L-Phenylalanine39.843.2
HMDB00161 L-Alanine275.5296.3
HMDB00162 L-Proline98.892.2
HMDB00167 L-Threonine110.8119.5
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine26.136.5
HMDB00177 L-Histidine53.161.2
HMDB00182 Lysine96.083.6
HMDB00187 L-Serine168.3113.2
HMDB00190 L-Lactic acid976.41078.8
HMDB00191 L-Aspartic acid23.60.0
HMDB00214 Ornithine0.029.5
HMDB00243 Pyruvic acid34.534.5
HMDB00254 Succinic acid4.74.2
HMDB00357 3-Hydroxybutyric acid16.317.1
HMDB00517 L-Arginine32.363.5
HMDB00562 Creatinine42.449.8
HMDB00641 L-Glutamine343.9349.9
HMDB00687 L-Leucine48.457.5
HMDB00691 Malonic acid6.514.7
HMDB00696 L-Methionine22.124.6
HMDB00863 Isopropanol8.08.2
HMDB00883 L-Valine127.4139.5
HMDB00929 L-Tryptophan13.80.0
HMDB01659 Acetone13.111.6
HMDB01873 Isobutyric acid2.04.7
HMDB01875 Methanol138.2128.6
HMDB01881 Propylene glycol7.66.8
HMDB04983 Dimethylsulfone1.44.5