Auxiliary Material: def_mix_serum_n_csf_5
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Quantities
| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 873.4 | 873.4 |
| HMDB00019 | 2-Oxoisovalerate | 12.1 | 8.5 |
| HMDB00023 | 3-Hydroxyisobutyrate | 0.4 | 0.0 |
| HMDB00042 | Acetic acid | 49.7 | 46.7 |
| HMDB00043 | Betaine | 6.8 | 5.2 |
| HMDB00060 | Acetoacetate | 20.3 | 17.9 |
| HMDB00064 | Creatine | 21.7 | 14.1 |
| HMDB00087 | Dimethylamine | 9.1 | 6.7 |
| HMDB00094 | Citric acid | 67.2 | 70.0 |
| HMDB00097 | Choline | 11.2 | 9.3 |
| HMDB00108 | Ethanol | 592.4 | 625.8 |
| HMDB00122 | D-Glucose | 3046.5 | 3367.3 |
| HMDB00123 | Glycine | 63.8 | 69.7 |
| HMDB00131 | Glycerol | 819.0 | 604.2 |
| HMDB00142 | Formic acid | 36.7 | 33.5 |
| HMDB00148 | L-Glutamic acid | 41.6 | 52.1 |
| HMDB00157 | Hypoxanthine | 7.0 | 6.6 |
| HMDB00158 | L-Tyrosine | 26.5 | 27.6 |
| HMDB00159 | L-Phenylalanine | 39.2 | 41.1 |
| HMDB00161 | L-Alanine | 344.7 | 336.0 |
| HMDB00162 | L-Proline | 79.7 | 132.9 |
| HMDB00167 | L-Threonine | 49.8 | 62.8 |
| HMDB00172 | L-Isoleucine | 7.0 | 11.8 |
| HMDB00177 | L-Histidine | 64.2 | 69.2 |
| HMDB00182 | Lysine | 45.1 | 68.0 |
| HMDB00187 | L-Serine | 264.0 | 82.7 |
| HMDB00190 | L-Lactic acid | 1074.3 | 1119.6 |
| HMDB00191 | L-Aspartic acid | 48.0 | 10.4 |
| HMDB00208 | 2-Oxoglutaric acid | 1.0 | 3.9 |
| HMDB00211 | Myoinositol | 67.8 | 47.4 |
| HMDB00214 | Ornithine | 38.7 | 29.4 |
| HMDB00243 | Pyruvic acid | 29.6 | 33.7 |
| HMDB00254 | Succinic acid | 4.8 | 6.6 |
| HMDB00267 | Pyroglutamic acid | 151.8 | 167.9 |
| HMDB00292 | Xanthine | 8.0 | 11.0 |
| HMDB00357 | 3-Hydroxybutyric acid | 33.1 | 22.5 |
| HMDB00517 | L-Arginine | 62.9 | 75.9 |
| HMDB00562 | Creatinine | 12.1 | 36.2 |
| HMDB00641 | L-Glutamine | 43.3 | 68.8 |
| HMDB00660 | Fructose | 101.7 | 66.1 |
| HMDB00687 | L-Leucine | 48.2 | 52.3 |
| HMDB00691 | Malonic acid | 20.5 | 21.5 |
| HMDB00696 | L-Methionine | 15.3 | 13.2 |
| HMDB00754 | 3-Hydroxyisovaleric acid | 4.1 | 5.4 |
| HMDB00863 | Isopropanol | 29.0 | 40.2 |
| HMDB00883 | L-Valine | 82.7 | 94.6 |
| HMDB00929 | L-Tryptophan | 9.9 | 0.0 |
| HMDB01659 | Acetone | 46.8 | 46.3 |
| HMDB01873 | Isobutyric acid | 0.9 | 2.9 |
| HMDB01875 | Methanol | 115.5 | 123.3 |
| HMDB01881 | Propylene glycol | 7.1 | 9.4 |
| HMDB04983 | Dimethylsulfone | 6.4 | 3.7 |