From: COVER: conformational oversampling as data augmentation for molecules
Dataset | Highest balanced accuracy | Highest AUC | ||
---|---|---|---|---|
Balanced accuracy | AUC | Balanced accuracy | AUC | |
1-1 | 0.664 | 0.811 | 0.610 | 0.814 |
1-16 | 0.760 | 0.805 | 0.678 | 0.818 |
2-2 | 0.680 | 0.801 | 0.561 | 0.821 |
2-32 | 0.753 | 0.815 | 0.753 | 0.815 |
5-5 | 0.630 | 0.814 | 0.551 | 0.823 |
5-80 | 0.784 | 0.803 | 0.693 | 0.823 |
SMOTE | 0.740 | 0.813 | 0.740 | 0.813 |
Tox21 highest | 0.765 | 0.847 | 0.581 | 0.880 |