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Table 11 Summary of the NGN performance on AR.

From: Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization

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