Table 11 Summary of the NGN performance on AR.
Design | Method | Q(%) | SE(%) | SP(%) | MCC |
|---|---|---|---|---|---|
Leave-20%-Out | SMILES-NGN | 70.3±0.91 | 71.8±0.46 | 37.5±11.4 | 0.052±0.033 |
|  | InChI-NGN | 76.3±3.20 | 80.7±2.86 | 60.6±7.02 | 0.380±0.098 |
Design | Method | Q(%) | SE(%) | SP(%) | MCC |
|---|---|---|---|---|---|
Leave-20%-Out | SMILES-NGN | 70.3±0.91 | 71.8±0.46 | 37.5±11.4 | 0.052±0.033 |
|  | InChI-NGN | 76.3±3.20 | 80.7±2.86 | 60.6±7.02 | 0.380±0.098 |