AiZynthFinder MCTS on mkt-lin-500 | SynthArena by isChemist Group

AiZynthFinder MCTSonmkt-lin-500

Part of the AiZynthFinder algorithm family

Community

5,657

Routes Found

51.0 min

Total Duration

$0.15

Cost

Overall Metrics

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

Tier-0 valid	Solv-0[buyables-stock]	Top-1	Top-3	Top-5	Top-10	Top-20	Top-50	Top-100
100.0%	97.6%	17.8%	26.2%	33.0%	35.8%	36.2%	36.2%	36.2%

n = 500 targets

Metrics by Benchmark Stratum

Target-level performance using RetroCast's exact reported strata.

Stratum	Tier-0 valid	Solv-0[buyables-stock]	Top-1	Top-3	Top-5	Top-10	Top-20	Top-50	Top-100	n
depth 2	100.0%	100.0%	49.0%	62.0%	77.0%	81.0%	81.0%	81.0%	81.0%	100
depth 3	100.0%	98.0%	12.0%	26.0%	38.0%	43.0%	44.0%	44.0%	44.0%	100
depth 4	100.0%	99.0%	13.0%	21.0%	25.0%	28.0%	29.0%	29.0%	29.0%	100
depth 5	100.0%	96.0%	9.0%	14.0%	16.0%	18.0%	18.0%	18.0%	18.0%	100
depth 6	100.0%	95.0%	6.0%	8.0%	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).

Target 1 of 500

Only with predictions

n5-00022

6 stepsLinearHas Acceptable Routes

SMILES

COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C

InChiKey

HMTKDIMDUAJTBJ-UHFFFAOYSA-N

Prediction Route

Rank 1 • Length: 0 steps • Linear

View:

Tier-0 validSolv-0[buyables-stock] fail

Prediction:

legend:in stockavailable molecule