Table 2.
Performance comparison between DCPM and state-of-the-art (SOTA) methods on regression task
| Method | Regression (RMSE↓) | ||
|---|---|---|---|
| ESOL | FreeSolv | Lipophilicity | |
| DCPM | 1.029 ± 0.0076 | 2.4621 ± 0.0176 | 0.9252 ± 0.0026 |
| ECFP | 1.9518 ± 0.0044 | 4.2936 ± 0.0117 | 1.0515 ± 0.0013 |
| KERMT | 1.1565 ± 0.0034 | 3.027 ± 0.0296 | 0.917 ± 0.0023 |
| KPGT | 1.5301 ± 0.0 | 3.6052 ± 0.0 | 1.0386 ± 0.0001 |
| MoleculeSTM-Graph | 1.468 ± 0.0128 | 3.6389 ± 0.0151 | 1.0377 ± 0.0008 |
| MPG | 1.4905 ± 0.0047 | 3.4328 ± 0.0288 | 1.0098 ± 0.0049 |
| Mole-BERT | 1.6142 ± 0.0052 | 3.119 ± 0.0469 | 0.9049 ± 0.0037 |