Auxiliary Material: def_mix_serum_n_csf_4
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| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 873.4 | 873.4 |
| HMDB00019 | 2-Oxoisovalerate | 15.9 | 9.6 |
| HMDB00023 | 3-Hydroxyisobutyrate | 0.9 | 0.0 |
| HMDB00042 | Acetic acid | 46.7 | 51.6 |
| HMDB00043 | Betaine | 2.7 | 5.2 |
| HMDB00060 | Acetoacetate | 18.3 | 17.8 |
| HMDB00064 | Creatine | 12.8 | 13.8 |
| HMDB00087 | Dimethylamine | 7.9 | 6.8 |
| HMDB00094 | Citric acid | 69.4 | 72.8 |
| HMDB00097 | Choline | 12.8 | 9.3 |
| HMDB00108 | Ethanol | 578.5 | 628.9 |
| HMDB00122 | D-Glucose | 3327.1 | 3468.0 |
| HMDB00123 | Glycine | 43.0 | 75.2 |
| HMDB00131 | Glycerol | 891.3 | 633.4 |
| HMDB00142 | Formic acid | 41.0 | 37.3 |
| HMDB00148 | L-Glutamic acid | 40.2 | 55.6 |
| HMDB00157 | Hypoxanthine | 6.8 | 7.1 |
| HMDB00158 | L-Tyrosine | 29.2 | 29.4 |
| HMDB00159 | L-Phenylalanine | 44.0 | 43.8 |
| HMDB00161 | L-Alanine | 357.3 | 350.8 |
| HMDB00162 | L-Proline | 132.0 | 132.3 |
| HMDB00167 | L-Threonine | 72.2 | 72.7 |
| HMDB00172 | L-Isoleucine | 10.8 | 11.8 |
| HMDB00177 | L-Histidine | 66.9 | 78.4 |
| HMDB00182 | Lysine | 73.1 | 72.6 |
| HMDB00187 | L-Serine | 273.8 | 102.1 |
| HMDB00190 | L-Lactic acid | 1104.1 | 1184.6 |
| HMDB00191 | L-Aspartic acid | 26.3 | 10.6 |
| HMDB00208 | 2-Oxoglutaric acid | 3.6 | 4.0 |
| HMDB00211 | Myoinositol | 43.8 | 60.1 |
| HMDB00214 | Ornithine | 18.1 | 31.6 |
| HMDB00243 | Pyruvic acid | 26.2 | 31.6 |
| HMDB00254 | Succinic acid | 4.0 | 1.6 |
| HMDB00267 | Pyroglutamic acid | 176.8 | 221.3 |
| HMDB00292 | Xanthine | 18.8 | 14.2 |
| HMDB00357 | 3-Hydroxybutyric acid | 38.2 | 21.9 |
| HMDB00517 | L-Arginine | 89.8 | 75.2 |
| HMDB00562 | Creatinine | 19.1 | 28.1 |
| HMDB00641 | L-Glutamine | 68.7 | 92.6 |
| HMDB00660 | Fructose | 108.4 | 89.1 |
| HMDB00687 | L-Leucine | 53.1 | 55.5 |
| HMDB00691 | Malonic acid | 12.1 | 17.8 |
| HMDB00696 | L-Methionine | 18.0 | 13.8 |
| HMDB00754 | 3-Hydroxyisovaleric acid | 4.9 | 5.1 |
| HMDB00863 | Isopropanol | 53.7 | 39.4 |
| HMDB00883 | L-Valine | 80.7 | 88.3 |
| HMDB00929 | L-Tryptophan | 10.9 | 0.0 |
| HMDB01659 | Acetone | 49.8 | 47.5 |
| HMDB01873 | Isobutyric acid | 2.1 | 1.5 |
| HMDB01875 | Methanol | 137.6 | 132.9 |
| HMDB01881 | Propylene glycol | 15.4 | 9.5 |
| HMDB04983 | Dimethylsulfone | 4.1 | 2.4 |