Auxiliary Material: biological_csf_2

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00008 2-Hydroxybutyrate23.519.9
HMDB00023 3-Hydroxyisobutyrate5.66.6
HMDB00042 Acetic acid85.787.2
HMDB00060 Acetoacetate8.85.1
HMDB00064 Creatine25.228.8
HMDB00087 Dimethylamine1.82.1
HMDB00094 Citric acid81.879.9
HMDB00097 Choline2.21.1
HMDB00122 D-Glucose1763.71979.7
HMDB00131 Glycerol128.3115.7
HMDB00142 Formic acid23.420.9
HMDB00158 L-Tyrosine4.14.7
HMDB00159 L-Phenylalanine8.47.4
HMDB00161 L-Alanine16.617.3
HMDB00167 L-Threonine19.912.4
HMDB00169 Mannose0.014.1
HMDB00172 L-Isoleucine1.50.0
HMDB00177 L-Histidine2.30.0
HMDB00182 Lysine26.512.6
HMDB00187 L-Serine4.831.1
HMDB00190 L-Lactic acid909.0813.6
HMDB00211 Myoinositol32.969.5
HMDB00243 Pyruvic acid1.70.0
HMDB00254 Succinic acid1.44.0
HMDB00267 Pyroglutamic acid76.564.6
HMDB00292 Xanthine1.00.0
HMDB00357 3-Hydroxybutyric acid23.610.7
HMDB00407 2-Hydroxyisovaleric acid3.73.5
HMDB00562 Creatinine37.229.6
HMDB00641 L-Glutamine245.8219.7
HMDB00660 Fructose97.586.0
HMDB00687 L-Leucine5.25.6
HMDB00696 L-Methionine2.63.3
HMDB00754 3-Hydroxyisovaleric acid1.51.8
HMDB00863 Isopropanol11.410.1
HMDB00883 L-Valine6.26.8
HMDB00929 L-Tryptophan4.10.0
HMDB01659 Acetone40.139.1
HMDB01875 Methanol745.1768.4
HMDB01881 Propylene glycol3.14.6
HMDB02712 1,5-Anhydrosorbitol65.364.2
HMDB04983 Dimethylsulfone4.30.0