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Table 9 Concordance of ACD/Labs and ChemAxon pKa predictions with each other and DataWarrior values

From: Open-source QSAR models for pKa prediction using multiple machine learning approaches

  ACD/Labs and ChemAxon predictions within 2 pKa units of each other Predictions within 2 pKa units of the DataWarrior pKa values Overlap
ACD/Labs and ChemAxon acidic pKa predictions 1866 1543 1468
ACD/Labs and ChemAxon basic pKa predictions 2199 1974 1902
  1. Table summarizes pKa predictions for ACD/Labs and ChemAxon chemicals within ± 2 pKa units of each other, within ± 2 pKa units to DataWarrior pKa values and the overlap between the two groups