| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 97.2% | 31.4% | 40.4% | 46.6% | 48.8% | 49.8% | 55.4% | 56.8% | 56.8% | 56.8% | 56.8% | 56.8% | 56.8% |
n = 500 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 | 98.0% | 39.0% | 48.0% | 58.0% | 62.0% | 62.0% | 67.0% | 71.0% | 71.0% | 71.0% | 71.0% | 71.0% | 71.0% | 100 |
| 3 | 99.0% | 28.0% | 40.0% | 48.0% | 50.0% | 51.0% | 55.0% | 55.0% | 55.0% | 55.0% | 55.0% | 55.0% | 55.0% | 100 |
| 4 | 98.0% | 27.0% | 35.0% | 41.0% | 42.0% | 45.0% | 54.0% | 55.0% | 55.0% | 55.0% | 55.0% | 55.0% | 55.0% | 100 |
| 5 | 96.0% | 32.0% | 37.0% | 41.0% | 43.0% | 44.0% | 51.0% | 52.0% | 52.0% | 52.0% | 52.0% | 52.0% | 52.0% | 100 |
| 6 | 95.0% | 31.0% | 42.0% | 45.0% | 47.0% | 47.0% | 50.0% | 51.0% | 51.0% | 51.0% | 51.0% | 51.0% | 51.0% | 100 |
Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).
SMILES
COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C
InChiKey
HMTKDIMDUAJTBJ-UHFFFAOYSA-N
Scroll to zoom. Drag to pan. Nodes marked in green are in stock.