| Experiment: polyatomic+polyatomic on lipophil |
|
|
| FOLD 1/5 |
| RMSE: 0.8381, MAE: 0.6517, R2: 0.5226 |
|
|
| FOLD 2/5 |
| RMSE: 0.7816, MAE: 0.5874, R2: 0.5756 |
|
|
| FOLD 3/5 |
| RMSE: 0.7933, MAE: 0.5945, R2: 0.5777 |
|
|
| FOLD 4/5 |
| RMSE: 0.8226, MAE: 0.6172, R2: 0.5426 |
|
|
| FOLD 5/5 |
| RMSE: 0.8238, MAE: 0.6292, R2: 0.5456 |
|
|
| ====== K-FOLD SUMMARY ====== |
| RMSE: 0.8121 [0.7945, 0.8293] |
| MAE: 0.6161 [0.5962, 0.6358] |
| R2: 0.5531 [0.5346, 0.5704] |
|
|
| ★ Using fold 2 model for test inference |
| RMSE: 0.7911, MAE: 0.5945, R2: 0.5756 |
|
|
| ====== HELD-OUT TEST METRICS ====== |
| {'rmse': 0.7911001278045477, 'mae': 0.5945204496383667, 'r2': 0.5756356716156006} |
| Test RMSE: 0.7913 (95 % CI: 0.7365–0.8514) |
|
|
| Test MAE : 0.5953 (95 % CI: 0.5563–0.6327) |
|
|
| Test R² : 0.5766 (95 % CI: 0.5145–0.6325) |
|
|
|
|
