Table 5 Classification accuracy (ACC) and matthews’s correlation coefficient (MCC) for two BERT models before and after SMILES augmentation (values illustrative).

From: Identification of novel triazolopyrimidines as potent α-glucosidase inhibitor through design, synthesis, biological evaluations, and computational analysis

Model

ACC (before Augmented)

ACC (after Augmented)

MCC (before Augmented)

MCC (after Augmented)

PC10M-450k

0.85

0.90

0.68

0.75

PC10M-396_250

0.82

0.87

0.65

0.70

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