| Model | Routes | Duration | Executed |
|---|---|---|---|
| Model | Routes | Duration | Executed |
|---|---|---|---|
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 73.2% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% | 10.0% |
n = 190 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 | 94.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 44.4% | 18 |
| 3 | 79.2% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 12.5% | 24 |
| 4 | 73.1% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 15.4% | 26 |
| 5 | 69.2% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 26 |
| 6 | 73.1% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 3.8% | 26 |
| 7 | 61.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 11.1% | 18 |
| 8 | 69.2% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 13 |
| 9 | 66.7% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 9 |
| 10 | 69.2% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 13 |
| 11 | 75.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 12 |
| 12 | 75.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 4 |
| 14 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1 |
Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).
SMILES
COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1
InChiKey
UGKXQLDRNCBBGQ-UHFFFAOYSA-N
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