Research Article
A Predictive HQSAR Model for a Series of Tricycle Core Containing MMP-12 Inhibitors with Dibenzofuran Ring
Table 3
Predicted activities for the molecules based on the HQSAR model. Activities were shown as pIC50 (μM).
| Name | R | Predicted pIC50 values | SE of prediction | Normalized mean distance score | Docking score |
| n1 | | 4.182 | 0.158579 | 0.161 | −12.038972 |
| n2 | | 3.89 | 0.097741 | 0.076 | −13.92 |
| n3 | | 3.942 | 0.093502 | 0.072 | −13.87 |
| n4 | | 3.846 | 0.308627 | 0.291 | —a |
| n5 | | 4.003 | 0.325568 | 0.315 | —a |
| 20 (observed = 4) | | 4.032 | — | 0.043 | −13.7908 |
| 19 (observed = 3.3979) | | 3.706 | — | 0.037 | −12.555956 |
| 26 (observed = 3) | | 2.945 | — | 0.009 | −11.781243 |
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Docking was not performed for these compounds.
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