Table 7.
VIP scores of PLS-DA and coefficients of LDA for the integrated targeted and untargeted metabolomics models.
| Metabolites | VIP PLS DA 20 | VIP PLS DA 10 | COEF LDA |
|---|---|---|---|
| PC ae C40:2 | 1.431 | 1.271 | −2.002 |
| PC ae C40:6 | 1.418 | — | — |
| PC aa C38:0 | 1.383 | 1.244 | −3.779 |
| Palmitoleic acid | 1.168 | 0.987 | −0.909 |
| Myristic acid | 1.162 | 1.053 | 2.412 |
| PC aa C38:6 | 1.144 | — | — |
| Ala | 1.134 | 0.874 | 1.327 |
| PC aa C38:1 | 1.120 | 0.964 | −0.671 |
| Oleic acid | 1.103 | — | — |
| Palmitic acid | 1.088 | 0.926 | −3.425 |
| lysoPC a C18:0 | 1.058 | 0.903 | 2.225 |
| SM C16:1 | 0.995 | 0.871 | 0.285 |
| lysoPC a C20:3 | 0.960 | 0.791 | −4.209 |
| Stearic acid | 0.775 | — | — |
| Citric acid | 0.667 | — | — |
| L-Acetylcarnitine | 0.631 | — | — |
| Tyr | 0.479 | — | — |
| Pyruvic acid | 0.362 | — | — |
| Kynuramine | 0.343 | — | — |
| L-Lactic acid | 0.334 | — | — |