AiZynthFinder MCTS (High) on mkt-cnv-160 | SynthArena by isChemist Group

AiZynthFinder MCTS (High)

Benchmark

Total Routes

2454

Executed

December 2nd, 2025

Duration

68.8 min

Total Cost

$0.20

Acceptable Routes

Available

Overall Metrics

Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.

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
99.4%	20.6%	28.1%	31.9%	35.0%	35.6%	38.8%	41.3%	41.3%	41.3%	41.3%	41.3%	41.3%

n = 160 targets

Metrics by Route Length

Performance breakdown by acceptable route length.

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%	45.0%	67.5%	77.5%	77.5%	80.0%	80.0%	80.0%	80.0%	80.0%	80.0%	80.0%	80.0%	40
3	100.0%	20.0%	22.5%	22.5%	27.5%	27.5%	37.5%	40.0%	40.0%	40.0%	40.0%	40.0%	40.0%	40
4	97.5%	10.0%	15.0%	20.0%	22.5%	22.5%	25.0%	27.5%	27.5%	27.5%	27.5%	27.5%	27.5%	40
5	100.0%	7.5%	7.5%	7.5%	12.5%	12.5%	12.5%	17.5%	17.5%	17.5%	17.5%	17.5%	17.5%	40

Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).

Target 1 of 160

n5-00045

4 stepsConvergentHas Acceptable Routes

SMILES

OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1

InChiKey

QRPLRPXUJNDKKA-UHFFFAOYSA-N

Prediction Route

Rank 1 • Length: 3 steps • Convergent

Solved

Solvability evaluated against: ASKCOS Buyables Stock

View:

Acceptable Route

Single route available

Prediction Rank

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Rank:

Rank 1 of 14

Legend:

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Hash: ffeaa79357990d695a81c2299c971863f8a16e9ff4c2be9256dfa14841e165ed