Auxiliary Material: biological_csf_4

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00008 2-Hydroxybutyrate32.631.9
HMDB00023 3-Hydroxyisobutyrate7.910.4
HMDB00042 Acetic acid80.983.5
HMDB00060 Acetoacetate10.18.1
HMDB00064 Creatine39.632.5
HMDB00087 Dimethylamine2.92.6
HMDB00094 Citric acid162.3126.2
HMDB00097 Choline0.61.1
HMDB00122 D-Glucose1861.72098.5
HMDB00131 Glycerol95.986.1
HMDB00142 Formic acid21.420.1
HMDB00158 L-Tyrosine5.65.6
HMDB00159 L-Phenylalanine7.47.1
HMDB00161 L-Alanine18.820.4
HMDB00167 L-Threonine17.224.9
HMDB00169 Mannose0.013.9
HMDB00172 L-Isoleucine1.32.1
HMDB00177 L-Histidine4.70.0
HMDB00182 Lysine18.715.5
HMDB00187 L-Serine62.852.0
HMDB00190 L-Lactic acid1065.11093.9
HMDB00211 Myoinositol72.789.3
HMDB00243 Pyruvic acid0.10.4
HMDB00254 Succinic acid1.22.1
HMDB00267 Pyroglutamic acid87.383.5
HMDB00292 Xanthine1.20.0
HMDB00357 3-Hydroxybutyric acid20.815.1
HMDB00407 2-Hydroxyisovaleric acid6.56.8
HMDB00562 Creatinine37.944.6
HMDB00641 L-Glutamine338.7324.9
HMDB00660 Fructose47.5108.8
HMDB00687 L-Leucine6.96.7
HMDB00696 L-Methionine4.73.3
HMDB00754 3-Hydroxyisovaleric acid1.83.0
HMDB00863 Isopropanol2.41.0
HMDB00883 L-Valine9.69.8
HMDB00929 L-Tryptophan3.80.0
HMDB01659 Acetone3.63.5
HMDB01875 Methanol129.7158.1
HMDB01881 Propylene glycol3.90.0
HMDB02712 1,5-Anhydrosorbitol72.973.1
HMDB04983 Dimethylsulfone5.30.0