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The virtual screening performance for sphingosine 1-phosphate receptor EDG-1 (PDB 3V2Y) with different choices of active and decoy sets. The active compounds were identified in different screens (biochemical for ChEMBL, cell-based for MUV) and the method used to construct the decoy sets is also different.
| Actives | Decoys | Vina | DUD-E | 2:1 |
|---|---|---|---|---|
|
| ||||
| MUV | MUV | 0.593 | 0.663 | 0.492 |
| MUV | ChEMBL | 0.619 | 0.682 | 0.523 |
| ChEMBL | ChEMBL | 0.668 | 0.796 | 0.727 |
| ChEMBL | MUV | 0.667 | 0.793 | 0.696 |
