| Solvability | Top-1 | Top-2 | Top-3 | Top-4 | Top-5 | Top-10 | Top-20 | Top-50 | Top-100 | Top-500 | Top-1000 | Top-10000 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 94.0% | 5.8% | 9.5% | 9.8% | 11.3% | 12.5% | 15.3% | 17.0% | 18.3% | 18.3% | 18.3% | 18.3% | 18.3% |
n = 400 targets
| Length | Solvability | Top-1 | Top-2 | Top-3 | Top-4 | Top-5 | Top-10 | Top-20 | Top-50 | Top-100 | Top-500 | Top-1000 | Top-10000 | n |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 99.0% | 17.0% | 25.0% | 25.0% | 26.0% | 27.0% | 35.0% | 39.0% | 41.0% | 41.0% | 41.0% | 41.0% | 41.0% | 100 |
| 3 | 95.0% | 2.0% | 6.0% | 6.0% | 8.0% | 11.0% | 12.0% | 15.0% | 16.0% | 16.0% | 16.0% | 16.0% | 16.0% | 100 |
| 4 | 90.0% | 4.0% | 6.0% | 6.0% | 8.0% | 9.0% | 11.0% | 11.0% | 12.0% | 12.0% | 12.0% | 12.0% | 12.0% | 100 |
| 5 | 92.0% | 0.0% | 1.0% | 2.0% | 3.0% | 3.0% | 3.0% | 3.0% | 4.0% | 4.0% | 4.0% | 4.0% | 4.0% | 100 |
Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).
SMILES
OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1
InChiKey
QRPLRPXUJNDKKA-UHFFFAOYSA-N
Scroll to zoom. Drag to pan. Nodes marked in green are in stock.