Auxiliary Material: def_mix_serum_n_csf_1
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| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 877.0 | 877.0 |
| HMDB00019 | 2-Oxoisovalerate | 11.0 | 8.1 |
| HMDB00023 | 3-Hydroxyisobutyrate | 1.1 | 0.0 |
| HMDB00042 | Acetic acid | 43.3 | 48.2 |
| HMDB00043 | Betaine | 7.7 | 4.8 |
| HMDB00060 | Acetoacetate | 17.4 | 16.3 |
| HMDB00064 | Creatine | 13.9 | 14.0 |
| HMDB00087 | Dimethylamine | 7.6 | 6.0 |
| HMDB00094 | Citric acid | 62.9 | 62.7 |
| HMDB00097 | Choline | 9.5 | 8.4 |
| HMDB00108 | Ethanol | 519.4 | 561.4 |
| HMDB00122 | D-Glucose | 2863.3 | 2882.8 |
| HMDB00123 | Glycine | 50.7 | 56.7 |
| HMDB00131 | Glycerol | 732.1 | 564.3 |
| HMDB00142 | Formic acid | 35.1 | 32.6 |
| HMDB00148 | L-Glutamic acid | 26.3 | 57.3 |
| HMDB00157 | Hypoxanthine | 7.6 | 8.8 |
| HMDB00158 | L-Tyrosine | 26.4 | 27.5 |
| HMDB00159 | L-Phenylalanine | 39.8 | 36.7 |
| HMDB00161 | L-Alanine | 322.8 | 319.5 |
| HMDB00162 | L-Proline | 102.0 | 122.6 |
| HMDB00167 | L-Threonine | 59.0 | 59.0 |
| HMDB00172 | L-Isoleucine | 8.5 | 10.5 |
| HMDB00177 | L-Histidine | 54.2 | 73.6 |
| HMDB00182 | Lysine | 68.9 | 63.4 |
| HMDB00187 | L-Serine | 286.7 | 77.6 |
| HMDB00190 | L-Lactic acid | 987.0 | 1093.5 |
| HMDB00191 | L-Aspartic acid | 38.6 | 13.2 |
| HMDB00208 | 2-Oxoglutaric acid | 12.0 | 1.9 |
| HMDB00211 | Myoinositol | 51.1 | 42.3 |
| HMDB00214 | Ornithine | 41.9 | 24.7 |
| HMDB00243 | Pyruvic acid | 27.0 | 31.4 |
| HMDB00254 | Succinic acid | 5.2 | 2.2 |
| HMDB00267 | Pyroglutamic acid | 175.2 | 213.7 |
| HMDB00292 | Xanthine | 12.2 | 19.0 |
| HMDB00357 | 3-Hydroxybutyric acid | 28.6 | 21.7 |
| HMDB00517 | L-Arginine | 73.7 | 67.2 |
| HMDB00562 | Creatinine | 14.4 | 28.5 |
| HMDB00641 | L-Glutamine | 69.3 | 86.5 |
| HMDB00660 | Fructose | 146.6 | 82.2 |
| HMDB00687 | L-Leucine | 45.6 | 50.9 |
| HMDB00691 | Malonic acid | 8.3 | 21.7 |
| HMDB00696 | L-Methionine | 15.1 | 13.0 |
| HMDB00754 | 3-Hydroxyisovaleric acid | 3.2 | 5.3 |
| HMDB00863 | Isopropanol | 39.5 | 36.9 |
| HMDB00883 | L-Valine | 67.3 | 75.8 |
| HMDB00929 | L-Tryptophan | 6.2 | 0.0 |
| HMDB01659 | Acetone | 46.1 | 44.1 |
| HMDB01873 | Isobutyric acid | 1.8 | 1.1 |
| HMDB01875 | Methanol | 113.3 | 123.4 |
| HMDB01881 | Propylene glycol | 5.4 | 9.2 |
| HMDB04983 | Dimethylsulfone | 3.5 | 2.5 |