Table 3 Impact of SMILES Augmentation on HIV Dataset
From: Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
Iteration of augmentation | Class ratio (positive: negative) | AUROC | |
|---|---|---|---|
Positive class | Negative class | ||
0 | 0 | 0.037 | 0.816 ± 0.005 |
4 | 4 | 0.037 | 0.831 ± 0.003 |
30 | 1 | 0.52 | 0.830 ± 0.007 |
60 | 1 | 1 | 0.835 ± 0.007 |