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Table 9 A comparison of the work done by [3] and [4] against the InChI-NGN for the FXa dataset. Missing values are due to lacking information in the primary literature.

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

Design Method Q(%) SE(%) SP(%) MCC
Train, Test A-MIF 88 - - -
  MIF-MIF 84 - - -
  MK1 94.5 98.7 89.5 -
  MK2 95.2 98.9 87.7 -
  InChI-NGN 83.8 84.3 82.9 0.657
Leave-20%-Out InChI-NGN 86.4±2.50 88.5±0.87 82.7±0.05 0.705±0.052