Auxiliary Material: def_mix_serum_n_csf_2
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| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 872.8 | 872.8 |
| HMDB00019 | 2-Oxoisovalerate | 14.6 | 8.6 |
| HMDB00023 | 3-Hydroxyisobutyrate | 1.6 | 0.0 |
| HMDB00042 | Acetic acid | 46.8 | 50.6 |
| HMDB00043 | Betaine | 0.0 | 6.0 |
| HMDB00060 | Acetoacetate | 21.5 | 19.5 |
| HMDB00064 | Creatine | 11.0 | 14.8 |
| HMDB00087 | Dimethylamine | 7.4 | 6.6 |
| HMDB00094 | Citric acid | 70.5 | 69.5 |
| HMDB00097 | Choline | 12.5 | 10.4 |
| HMDB00108 | Ethanol | 580.3 | 621.8 |
| HMDB00122 | D-Glucose | 3222.7 | 3273.6 |
| HMDB00123 | Glycine | 22.7 | 66.9 |
| HMDB00131 | Glycerol | 824.9 | 601.4 |
| HMDB00142 | Formic acid | 35.8 | 32.5 |
| HMDB00148 | L-Glutamic acid | 30.9 | 49.5 |
| HMDB00157 | Hypoxanthine | 8.2 | 7.7 |
| HMDB00158 | L-Tyrosine | 27.0 | 26.9 |
| HMDB00159 | L-Phenylalanine | 38.4 | 41.6 |
| HMDB00161 | L-Alanine | 339.9 | 328.4 |
| HMDB00162 | L-Proline | 105.6 | 128.3 |
| HMDB00167 | L-Threonine | 74.0 | 57.5 |
| HMDB00172 | L-Isoleucine | 9.9 | 11.9 |
| HMDB00177 | L-Histidine | 69.0 | 75.9 |
| HMDB00182 | Lysine | 67.1 | 65.7 |
| HMDB00187 | L-Serine | 312.0 | 90.1 |
| HMDB00190 | L-Lactic acid | 1066.0 | 1140.0 |
| HMDB00191 | L-Aspartic acid | 21.1 | 13.8 |
| HMDB00208 | 2-Oxoglutaric acid | 9.8 | 3.3 |
| HMDB00211 | Myoinositol | 45.0 | 51.7 |
| HMDB00214 | Ornithine | 16.9 | 24.8 |
| HMDB00243 | Pyruvic acid | 27.6 | 34.6 |
| HMDB00254 | Succinic acid | 4.4 | 1.0 |
| HMDB00267 | Pyroglutamic acid | 185.5 | 215.6 |
| HMDB00292 | Xanthine | 26.5 | 17.0 |
| HMDB00357 | 3-Hydroxybutyric acid | 11.0 | 22.8 |
| HMDB00517 | L-Arginine | 61.9 | 59.8 |
| HMDB00562 | Creatinine | 28.7 | 28.7 |
| HMDB00641 | L-Glutamine | 71.7 | 78.0 |
| HMDB00660 | Fructose | 60.3 | 84.0 |
| HMDB00687 | L-Leucine | 50.8 | 50.5 |
| HMDB00691 | Malonic acid | 6.4 | 24.5 |
| HMDB00696 | L-Methionine | 13.6 | 13.4 |
| HMDB00754 | 3-Hydroxyisovaleric acid | 6.5 | 4.5 |
| HMDB00863 | Isopropanol | 43.7 | 38.6 |
| HMDB00883 | L-Valine | 70.9 | 79.5 |
| HMDB00929 | L-Tryptophan | 14.1 | 0.0 |
| HMDB01659 | Acetone | 47.2 | 46.6 |
| HMDB01873 | Isobutyric acid | 0.8 | 0.8 |
| HMDB01875 | Methanol | 150.1 | 122.5 |
| HMDB01881 | Propylene glycol | 7.4 | 9.1 |
| HMDB04983 | Dimethylsulfone | 4.6 | 1.3 |