Table 3.
Performance of Egret on the Reaxys-MultiCondi-Yield dataset and comparison with other methods
Methods | Regression | Multiclassification | |||||
---|---|---|---|---|---|---|---|
8:1:1 | 6:2:2 | 8:1:1 | |||||
R 2 | MAE | RMSE | R 2 | MAE | RMSE | Accuracy | |
Yield-BERT | 0.1439 | 0.1317 | 0.1769 | 0.1249 | 0.1363 | 0.1782 | 0.5836 |
DRFP | 0.1458 | 0.1306 | 0.1767 | 0.1262 | 0.1320 | 0.1780 | 0.5849 |
Egret | 0.1529 | 0.1300 | 0.1760 | 0.1429 | 0.1306 | 0.1764 | 0.6016 |