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Based on the 2D-QSAR test set compound experimental and predicted activity logIC50.
| Compound no. | Experiment logIC50 | Predicted (MLRModel) logIC50 | Predicted (PLSModel) logIC50 |
|---|---|---|---|
| Tyr-21 | −0.77 | −0.59 | −0.74 |
| Tyr-22 | 0.77 | 1.14 | 1.04 |
| Tyr-23 | 0.90 | 0.39 | −0.02 |
| Tyr-24 | 1.21 | 1.81 | 0.73 |
| Tyr-25 | 1.46 | 1.56 | 1.57 |
| Tyr-26 | 1.50 | 1.69 | 1.46 |
| Tyr-27 | 1.56 | 1.37 | 1.76 |
| Tyr-28 | 1.76 | 2.38 | 1.36 |
| Tyr-29 | 1.80 | 2.01 | 2.28 |
| Tyr-30 | 2.05 | 2.40 | 2.25 |
| Tyr-31 | 2.18 | 2.34 | 1.97 |
| Tyr-32 | 2.41 | 1.50 | 2.29 |
