Auxiliary Material: biological_serum_4

Spectrum with Fit

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HMDB IDCompound NameBayesil (µM)Expert (µM)
HMDB00001 1-Methylhistidine59.420.2
HMDB00008 2-Hydroxybutyrate90.196.4
HMDB00042 Acetic acid32.935.0
HMDB00043 Betaine16.215.2
HMDB00060 Acetoacetate4.02.9
HMDB00062 L-Carnitine35.227.9
HMDB00064 Creatine13.520.6
HMDB00094 Citric acid96.294.0
HMDB00097 Choline7.78.7
HMDB00108 Ethanol9.09.7
HMDB00122 D-Glucose2549.52966.9
HMDB00123 Glycine169.0192.1
HMDB00131 Glycerol103.797.6
HMDB00142 Formic acid13.40.0
HMDB00148 L-Glutamic acid41.871.3
HMDB00157 Hypoxanthine18.00.0
HMDB00158 L-Tyrosine37.231.5
HMDB00159 L-Phenylalanine41.548.5
HMDB00161 L-Alanine243.1246.1
HMDB00162 L-Proline84.164.2
HMDB00167 L-Threonine102.898.7
HMDB00168 L-Asparagine0.00.0
HMDB00172 L-Isoleucine44.358.3
HMDB00177 L-Histidine15.342.1
HMDB00182 Lysine77.598.8
HMDB00187 L-Serine130.1137.3
HMDB00190 L-Lactic acid819.3941.0
HMDB00191 L-Aspartic acid41.20.0
HMDB00214 Ornithine0.016.9
HMDB00243 Pyruvic acid12.516.6
HMDB00254 Succinic acid0.83.3
HMDB00357 3-Hydroxybutyric acid342.9386.8
HMDB00517 L-Arginine60.156.6
HMDB00562 Creatinine38.343.0
HMDB00641 L-Glutamine249.8279.1
HMDB00687 L-Leucine107.2111.7
HMDB00691 Malonic acid2.49.6
HMDB00696 L-Methionine19.210.3
HMDB00863 Isopropanol10.412.2
HMDB00883 L-Valine141.8166.7
HMDB00929 L-Tryptophan14.50.0
HMDB01659 Acetone113.4116.0
HMDB01873 Isobutyric acid5.68.3
HMDB01875 Methanol59.856.0
HMDB01881 Propylene glycol9.211.2
HMDB04983 Dimethylsulfone3.14.1