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The observed and predicted activities of pIC50 order using MLR and MNLR QSAR models.
| Molecules number | Observed pIC50 | Predicted pIC50 (MLR) | Predicted pIC50 (MNLR) |
|---|---|---|---|
| 4a | 7.638 | 8.044 | 7.897 |
| 10a | 7.796 | 7.825 | 7.908 |
| 14a | 8.222 | 8.323 | 8.410 |
| 17a | 7.569 | 8.017 | 7.954 |
| 18a | 7.921 | 8.069 | 8.012 |
| 31a | 6.848 | 7.076 | 7.200 |
Indicates the test set molecules.
