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

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

	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

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

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