| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 97.6% | 17.8% | 22.6% | 26.2% | 28.8% | 33.0% | 35.8% | 36.2% | 36.2% | 36.2% | 36.2% | 36.2% | 36.2% |
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 | 100.0% | 49.0% | 58.0% | 62.0% | 67.0% | 77.0% | 81.0% | 81.0% | 81.0% | 81.0% | 81.0% | 81.0% | 81.0% | 100 |
| 3 | 98.0% | 12.0% | 19.0% | 26.0% | 31.0% | 38.0% | 43.0% | 44.0% | 44.0% | 44.0% | 44.0% | 44.0% | 44.0% | 100 |
| 4 | 99.0% | 13.0% | 16.0% | 21.0% | 23.0% | 25.0% | 28.0% | 29.0% | 29.0% | 29.0% | 29.0% | 29.0% | 29.0% | 100 |
| 5 | 96.0% | 9.0% | 12.0% | 14.0% | 15.0% | 16.0% | 18.0% | 18.0% | 18.0% | 18.0% | 18.0% | 18.0% | 18.0% | 100 |
| 6 | 95.0% | 6.0% | 8.0% | 8.0% | 8.0% | 9.0% | 9.0% | 9.0% | 9.0% | 9.0% | 9.0% | 9.0% | 9.0% | 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