Auxiliary Material: def_mix_serum_n_csf_3

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00019 2-Oxoisovalerate17.811.7
HMDB00023 3-Hydroxyisobutyrate1.70.0
HMDB00042 Acetic acid53.451.6
HMDB00043 Betaine10.44.0
HMDB00060 Acetoacetate20.319.2
HMDB00064 Creatine25.313.9
HMDB00087 Dimethylamine8.16.7
HMDB00094 Citric acid36.340.6
HMDB00097 Choline11.89.6
HMDB00108 Ethanol598.1632.5
HMDB00122 D-Glucose3433.53108.6
HMDB00123 Glycine69.570.6
HMDB00131 Glycerol759.6646.3
HMDB00142 Formic acid34.732.7
HMDB00148 L-Glutamic acid35.666.0
HMDB00157 Hypoxanthine8.27.5
HMDB00158 L-Tyrosine28.430.9
HMDB00159 L-Phenylalanine44.242.7
HMDB00161 L-Alanine357.5353.0
HMDB00162 L-Proline104.5123.0
HMDB00167 L-Threonine57.262.6
HMDB00172 L-Isoleucine9.110.6
HMDB00177 L-Histidine68.382.5
HMDB00182 Lysine47.761.1
HMDB00187 L-Serine255.893.7
HMDB00190 L-Lactic acid1115.91178.1
HMDB00191 L-Aspartic acid42.819.8
HMDB00208 2-Oxoglutaric acid6.33.1
HMDB00211 Myoinositol94.748.7
HMDB00214 Ornithine27.329.1
HMDB00243 Pyruvic acid34.739.1
HMDB00254 Succinic acid4.42.3
HMDB00267 Pyroglutamic acid172.5211.0
HMDB00292 Xanthine9.513.2
HMDB00357 3-Hydroxybutyric acid27.97.9
HMDB00517 L-Arginine62.171.1
HMDB00562 Creatinine17.826.6
HMDB00641 L-Glutamine63.986.7
HMDB00660 Fructose129.785.0
HMDB00687 L-Leucine52.954.2
HMDB00691 Malonic acid14.620.5
HMDB00696 L-Methionine15.813.4
HMDB00754 3-Hydroxyisovaleric acid5.25.7
HMDB00863 Isopropanol34.039.5
HMDB00883 L-Valine70.578.7
HMDB00929 L-Tryptophan10.60.0
HMDB01659 Acetone47.545.7
HMDB01873 Isobutyric acid1.71.4
HMDB01875 Methanol115.2122.7
HMDB01881 Propylene glycol8.010.4
HMDB04983 Dimethylsulfone3.21.2