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From isChemist

Essays and software that make better scientific questions possible.

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  3. Retro* on uspto-190
Target 1 of 190

Retro*onuspto-190

Part of the Retro* algorithm family
Community
85
Routes Found
35.0 min
Total Duration
$0.10
Cost
Aug 4, 2026
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
Tier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100
44.7%44.7%13.7%13.7%13.7%13.7%13.7%13.7%13.7%

n = 190 targets

Metrics by Benchmark Stratum
Target-level performance using RetroCast's exact reported strata.
StratumTier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100n
depth 277.8%77.8%44.4%44.4%44.4%44.4%44.4%44.4%44.4%18
depth 358.3%58.3%8.3%8.3%8.3%8.3%8.3%8.3%8.3%24
depth 446.2%46.2%23.1%23.1%23.1%23.1%23.1%23.1%23.1%26
depth 538.5%38.5%3.8%3.8%3.8%3.8%3.8%3.8%3.8%26
depth 650.0%50.0%7.7%7.7%7.7%7.7%7.7%7.7%7.7%26
depth 738.9%38.9%16.7%16.7%16.7%16.7%16.7%16.7%16.7%18
depth 861.5%61.5%30.8%30.8%30.8%30.8%30.8%30.8%30.8%13
depth 955.6%55.6%0.0%0.0%0.0%0.0%0.0%0.0%0.0%9
depth 107.7%7.7%0.0%0.0%0.0%0.0%0.0%0.0%0.0%13
depth 118.3%8.3%0.0%0.0%0.0%0.0%0.0%0.0%0.0%12
depth 120.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%4
depth 140.0%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).

USPTO-001/190

7 stepsLinearHas Acceptable Routes

SMILES

C[C@H](c1ccccc1)N1C[C@]2(C(=O)OC(C)(C)C)C=CC[C@@H]2C1=S

InChiKey

QOTQVUISBLSOGZ-AKCHCHLHSA-N

No predictions found for this target. The model did not generate any routes.