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Table 4 Impact of SMILES augmentation on BBBP dataset

From: Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT

Iteration of augmentationClass ratio (positive: negative)AUROC
Positive classNegative class
003.380.894 ± 0.004
443.100.937 ± 0.005
10103.250.949 ± 0.002
9301.10.946 ± 0.002