Table 7 Acidic and basic pKas predicted by ACD/Labs and ChemAxon models using the DataWarrior chemicals
From: Open-source QSAR models for pKa prediction using multiple machine learning approaches
| Â | Chemicals predicted to have an acidic pKa | Chemicals predicted to have a basic pKa | Chemicals predicted to be amphoteric | Chemicals predicted to be non-ionizable |
|---|---|---|---|---|
ACD/Labs | 4475 | 5210 | 2989 | 244 |
ChemAxon | 5070 | 6447 | 4595 | 18 |
In common | 4468 | 5031 | 2818 | 6 |