Auxiliary Material: def_mix_serum_n_csf_3
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| HMDB ID | Compound Name | Bayesil (µM) | Expert (µM) |
|---|---|---|---|
| - | DSS | 874.6 | 874.6 |
| HMDB00019 | 2-Oxoisovalerate | 17.8 | 11.7 |
| HMDB00023 | 3-Hydroxyisobutyrate | 1.7 | 0.0 |
| HMDB00042 | Acetic acid | 53.4 | 51.6 |
| HMDB00043 | Betaine | 10.4 | 4.0 |
| HMDB00060 | Acetoacetate | 20.3 | 19.2 |
| HMDB00064 | Creatine | 25.3 | 13.9 |
| HMDB00087 | Dimethylamine | 8.1 | 6.7 |
| HMDB00094 | Citric acid | 36.3 | 40.6 |
| HMDB00097 | Choline | 11.8 | 9.6 |
| HMDB00108 | Ethanol | 598.1 | 632.5 |
| HMDB00122 | D-Glucose | 3433.5 | 3108.6 |
| HMDB00123 | Glycine | 69.5 | 70.6 |
| HMDB00131 | Glycerol | 759.6 | 646.3 |
| HMDB00142 | Formic acid | 34.7 | 32.7 |
| HMDB00148 | L-Glutamic acid | 35.6 | 66.0 |
| HMDB00157 | Hypoxanthine | 8.2 | 7.5 |
| HMDB00158 | L-Tyrosine | 28.4 | 30.9 |
| HMDB00159 | L-Phenylalanine | 44.2 | 42.7 |
| HMDB00161 | L-Alanine | 357.5 | 353.0 |
| HMDB00162 | L-Proline | 104.5 | 123.0 |
| HMDB00167 | L-Threonine | 57.2 | 62.6 |
| HMDB00172 | L-Isoleucine | 9.1 | 10.6 |
| HMDB00177 | L-Histidine | 68.3 | 82.5 |
| HMDB00182 | Lysine | 47.7 | 61.1 |
| HMDB00187 | L-Serine | 255.8 | 93.7 |
| HMDB00190 | L-Lactic acid | 1115.9 | 1178.1 |
| HMDB00191 | L-Aspartic acid | 42.8 | 19.8 |
| HMDB00208 | 2-Oxoglutaric acid | 6.3 | 3.1 |
| HMDB00211 | Myoinositol | 94.7 | 48.7 |
| HMDB00214 | Ornithine | 27.3 | 29.1 |
| HMDB00243 | Pyruvic acid | 34.7 | 39.1 |
| HMDB00254 | Succinic acid | 4.4 | 2.3 |
| HMDB00267 | Pyroglutamic acid | 172.5 | 211.0 |
| HMDB00292 | Xanthine | 9.5 | 13.2 |
| HMDB00357 | 3-Hydroxybutyric acid | 27.9 | 7.9 |
| HMDB00517 | L-Arginine | 62.1 | 71.1 |
| HMDB00562 | Creatinine | 17.8 | 26.6 |
| HMDB00641 | L-Glutamine | 63.9 | 86.7 |
| HMDB00660 | Fructose | 129.7 | 85.0 |
| HMDB00687 | L-Leucine | 52.9 | 54.2 |
| HMDB00691 | Malonic acid | 14.6 | 20.5 |
| HMDB00696 | L-Methionine | 15.8 | 13.4 |
| HMDB00754 | 3-Hydroxyisovaleric acid | 5.2 | 5.7 |
| HMDB00863 | Isopropanol | 34.0 | 39.5 |
| HMDB00883 | L-Valine | 70.5 | 78.7 |
| HMDB00929 | L-Tryptophan | 10.6 | 0.0 |
| HMDB01659 | Acetone | 47.5 | 45.7 |
| HMDB01873 | Isobutyric acid | 1.7 | 1.4 |
| HMDB01875 | Methanol | 115.2 | 122.7 |
| HMDB01881 | Propylene glycol | 8.0 | 10.4 |
| HMDB04983 | Dimethylsulfone | 3.2 | 1.2 |