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Comparison of the 2D similarity search and the parallel integrated approach.
| Search Method | Measured | Hits: Inhibition > 55% (10 μM) | Hit Rate % | Hits: IC50 < 1 μM | Hit Rate % |
|---|---|---|---|---|---|
| 2D similarity search | 104 | 22 | 21.1 | 9 | 8.6 |
| 2D similarity search plus docking | 48 | 11 | 23 | 3 | 6.2 |
