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To ensure that the accuracies achieved for the ECHA dataset were not due to favorable train-test split, we also performed a 5-fold cross validation on the entire dataset. The classification accuracy and weighted F1 scores per fold are summarized here (higher is better)
| Fold | Accuracy (%) | Weighted F1 score |
|---|---|---|
| 0 | 77.445 | 0.8136 |
| 1 | 72.826 | 0.7955 |
| 2 | 73.250 | 0.7838 |
| 3 | 75.820 | 0.7982 |
| 4 | 76.366 | 0.8080 |
| Average | 75.141 | 0.7998 |
