| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 77.5% | 35.8% | 40.8% | 44.8% | 45.3% | 46.0% | 46.8% | 47.0% | 47.0% | 47.0% | 47.0% | 47.0% | 47.0% |
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 | 86.0% | 37.0% | 47.0% | 52.0% | 52.0% | 55.0% | 56.0% | 56.0% | 56.0% | 56.0% | 56.0% | 56.0% | 56.0% | 100 |
| 3 | 72.0% | 30.0% | 34.0% | 40.0% | 41.0% | 41.0% | 41.0% | 41.0% | 41.0% | 41.0% | 41.0% | 41.0% | 41.0% | 100 |
| 4 | 77.0% | 40.0% | 43.0% | 44.0% | 44.0% | 44.0% | 45.0% | 46.0% | 46.0% | 46.0% | 46.0% | 46.0% | 46.0% | 100 |
| 5 | 75.0% | 36.0% | 39.0% | 43.0% | 44.0% | 44.0% | 45.0% | 45.0% | 45.0% | 45.0% | 45.0% | 45.0% | 45.0% | 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.