Research Article
Pharmacophore Modelling and 3D-QSAR Studies on -Phenylpyrazinones as Corticotropin-Releasing Factor 1 Receptor Antagonists
Table 6
Experimental and predicted IC50 values of test set molecules based on hypothesis AADHHR.47.
| Comp. No. | Experimental activity (IC50) | Predicted activity (IC50) | Fitness score | Comp. no. | Experimental activity (IC50) | Predicted activity (IC50) | Fitness score |
| 3. | 8.620 | 8.68 | 1.99 | 36 | 8.824 | 9.23 | 1.95 | 4. | 9.200 | 9.10 | 2.23 | 39 | 7.469 | 7.42 | 1.89 | 8. | 7.921 | 8.15 | 2.01 | 41 | 9.026 | 9.07 | 1.81 | 12. | 9.096 | 9.02 | 2.27 | 42 | 7.722 | 8.41 | 1.94 | 14. | 9.568 | 9.19 | 2.23 | 43 | 6.824 | 7.12 | 2.51 | 26. | 8.236 | 8.42 | 2.21 | 45 | 8.921 | 9.11 | 0.87 | 30. | 8.181 | 8.13 | 1.18 | 49 | 6.744 | 7.14 | 2.61 | 33. | 8.824 | 9.20 | 1.75 | | | | |
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