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  5. AiZynthFinder MCTS (High) on uspto-190
AiZynthFinder MCTS (High)
Benchmark
uspto-190
Total Routes
2118
Executed
December 2nd, 2025
Duration
132.5 min
Total Cost
$0.39
Acceptable Routes
Available
Target 1 of 190
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
SolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000
33.7%1.6%2.1%2.1%2.1%2.1%2.1%2.1%2.1%2.1%2.1%2.1%2.1%

n = 190 targets

Metrics by Route Length
Performance breakdown by acceptable route length.
LengthSolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000n
255.6%16.7%16.7%16.7%16.7%16.7%16.7%16.7%16.7%16.7%16.7%16.7%16.7%18
350.0%0.0%4.2%4.2%4.2%4.2%4.2%4.2%4.2%4.2%4.2%4.2%4.2%24
430.8%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%26
538.5%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%26
623.1%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%26
750.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%18
87.7%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%13
955.6%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
107.7%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%13
1116.7%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%12
120.0%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
140.0%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).

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

Prediction Route
Rank 1 • Length: 6 steps • Convergent
Unsolved
Solvability evaluated against: ASKCOS Buyables Stock
View:
Single route available
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Rank:
Rank 1 of 25
React Flow
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Hash: bc5d1734ad52c4e939e0d5b667a67188d113d0bcd4070fef4ac37d7527fb9d93