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Experimental results with and without control of the docking score.
| Docking Score | Valid Ratio | Novelty Ratio | Unique Ratio | |
|---|---|---|---|---|
| PETrans (EGFR) | −7.969 ± 0.58 | 0.998 | 1.0 | 0.953 |
| PETrans (EGFR) * | −8.153 ± 0.52 | 0.895 | 1.0 | 0.719 |
| PETrans (HTR1A) | −8.589 ± 0.63 | 0.982 | 1.0 | 0.979 |
| PETrans (HTR1A) * | −8.784 ± 0.57 | 0.905 | 1.0 | 0.624 |
| PETrans (S1PR1) | −9.579 ± 0.64 | 0.959 | 1.0 | 0.880 |
| PETrans (S1PR1) * | −9.403 ± 0.52 | 0.815 | 1.0 | 0.420 |
* stands for the result with control of the docking score.
