Auxiliary Material: biological_csf_3

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00008 2-Hydroxybutyrate24.924.3
HMDB00023 3-Hydroxyisobutyrate5.47.0
HMDB00042 Acetic acid89.091.4
HMDB00060 Acetoacetate4.94.4
HMDB00064 Creatine30.227.0
HMDB00087 Dimethylamine0.51.3
HMDB00094 Citric acid146.8148.6
HMDB00097 Choline1.71.3
HMDB00122 D-Glucose2113.32208.2
HMDB00131 Glycerol264.0185.5
HMDB00142 Formic acid31.930.5
HMDB00158 L-Tyrosine6.64.6
HMDB00159 L-Phenylalanine7.27.5
HMDB00161 L-Alanine18.019.1
HMDB00167 L-Threonine26.813.8
HMDB00169 Mannose73.816.4
HMDB00172 L-Isoleucine0.91.8
HMDB00177 L-Histidine4.94.9
HMDB00182 Lysine14.610.9
HMDB00187 L-Serine62.128.6
HMDB00190 L-Lactic acid1034.51128.8
HMDB00211 Myoinositol76.472.9
HMDB00243 Pyruvic acid0.50.8
HMDB00254 Succinic acid0.01.5
HMDB00267 Pyroglutamic acid57.152.6
HMDB00292 Xanthine1.60.0
HMDB00357 3-Hydroxybutyric acid22.413.2
HMDB00407 2-Hydroxyisovaleric acid3.14.6
HMDB00562 Creatinine34.935.5
HMDB00641 L-Glutamine363.2315.1
HMDB00660 Fructose95.978.6
HMDB00687 L-Leucine6.35.1
HMDB00696 L-Methionine4.02.3
HMDB00754 3-Hydroxyisovaleric acid2.61.1
HMDB00863 Isopropanol13.712.3
HMDB00883 L-Valine6.46.9
HMDB00929 L-Tryptophan1.80.0
HMDB01659 Acetone49.448.0
HMDB01875 Methanol1057.41099.1
HMDB01881 Propylene glycol0.04.6
HMDB02712 1,5-Anhydrosorbitol162.682.5
HMDB04983 Dimethylsulfone7.23.5