Table 2.
Crude and Age- and Race/Ethnicity-Adjusted Estimates Association for the 16 Metabolites Significantly Altered with ECC Traits after False Discovery Rate Correction.
| Metabolite | Origin | ECC Trait | β (P Value), Crude | β (P Value), Age and Race/Ethnicity Adjusted | TPOT ML Feature Coefficient | TPOT ML Feature Coefficient Rank |
|---|---|---|---|---|---|---|
| Catechin | Exogenous | dmfs3 >0 | −0.652 (4.7 × 10−6) | −0.704 (4.3 × 10−6) | 0.011 | 1 |
| dmfs3 | −0.195 (5.2 × 10−5) | −0.216 (3.1 × 10−5) | ||||
| Epicatechin | Exogenous | dmfs3 >0 | −0.660 (2.9 × 10−6) | −0.629 (3.6 × 10−5) | 0.0087 | 2 |
| dmfs3 | −0.213 (7.3 × 10−6) | −0.204 (7.0 × 10−5) | ||||
| Fucose | Microbial/host/exogenous | dmfs3 >0 | 0.537 (3.0 × 10−6) | 0.526 (2.3 × 10−5) | 0.0048 | 9 |
| dmfs3 | 0.157 (5.6 × 10−5) | 0.150 (3.6 × 10−4) | ||||
| N-acetylneuraminate | Host | dmfs3 >0 | 0.799 (6.8 × 10−6) | 0.586 (1.8 × 10−3) | 0.0043 | 14 |
| dmfs3 | 0.215 (3.5 × 10−4) | 0.132 (3.7 × 10−2) | ||||
| Creatine | Host/exogenous | dmfs3 >0 | 0.448 (8.4 × 10−4) | 0.359 (1.2 × 10−2) | 0.0033 | 21 |
| dmfs >0 | 0.544 (3.1 × 10−5) | 0.540 (7.5 × 10−5) | ||||
| Creatinine | Host | dmfs >0 | 0.586 (2.0 × 10−4) | 0.625 (1.3 × 10−4) | ||
| Imidazole propionate | Microbial | dmfs3 >0 | 0.682 (5.3 × 10−4) | 0.589 (5.5 × 10−3) | 0.005 | 8 |
| 9,10-DiHOME | Exogenous/microbial | dmfs3 >0 | 0.583 (2.2 × 10−4) | 0.675 (7.4 × 10−5) | 0.0047 | 11 |
| Inosine | Microbial/host | dmfs3 >0 | 0.565 (6.0 × 10−5) | 0.449 (2.8 × 10−3) | 0.0032 | 22 |
| 3-(4-Hydroxyphenyl) lactate (HPLA) | Host | dmfs3 >0 | 0.449 (4.2 × 10−4) | 0.332 (1.4 × 10−2) | 0.0024 | 36 |
| 1-Stearoyl-GPG | Host | dmfs3 >0 | 0.550 (9.2 × 10−4) | 0.312 (6.8 × 10−2) | 0.0019 | 47 |
| 12,13-DiHOME | Exogenous/microbial | dmfs3 >0 | 0.503 (7.3 × 10−4) | 0.567 (4.0 × 10−4) | 0.001 | 81 |
| Xanthine | Host/exogenous/ microbial | dmfs3 >0 | 0.725 (1.0 × 10−3) | 0.492 (3.5 × 10−2) | −0.0007 | 204 |
| Raffinose | Exogenous | dmfs3 >0 | −0.758 (1.0 × 10−3) | −0.739 (3.0 × 10−3) | −0.0012 | 256 |
| Stachyose | Exogenous | dmfs3 >0 | −0.722 (6.6 × 10−4) | −0.674 (3.1 × 10−3) | −0.0027 | 402 |
| Sedoheptulose-7-phosphate | Microbial/host | dmfs3 >0 | 0.475 (6.5 × 10−4) | 0.301 (3.7 × 10−2) | −0.0033 | 452 |
ML-derived feature importance coefficients and ranks are presented for the 15 metabolites that showed significant associations with the binary localized ECC trait (i.e., dmfs3 >0 defined at the ICDAS 1 threshold).
dmfs, the sum of decayed, missing, and restored (i.e., “filled”) primary tooth surfaces due to caries; ECC, early childhood caries; ICDAS, International Caries Detection and Classification System; ML, machine learning.