AiZynthFinder Retro* (High) on ref-lin-600 | SynthArena by isChemist Group

AiZynthFinder Retro* (High)onref-lin-600

Part of the AiZynthFinder algorithm family

Community

9,275

Routes Found

1099.2 min

Total Duration

$3.27

Cost

Overall Metrics

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

Tier-0 valid	Solv-0[n5-stock]	Top-1	Top-3	Top-5	Top-10	Top-20	Top-50	Top-100
100.0%	95.0%	6.2%	11.7%	13.5%	16.5%	18.5%	19.0%	19.0%

n = 600 targets

Metrics by Benchmark Stratum

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

Stratum	Tier-0 valid	Solv-0[n5-stock]	Top-1	Top-3	Top-5	Top-10	Top-20	Top-50	Top-100	n
depth 2	100.0%	98.0%	28.0%	48.0%	52.0%	58.0%	64.0%	66.0%	66.0%	100
depth 3	100.0%	99.0%	6.0%	13.0%	16.0%	27.0%	29.0%	29.0%	29.0%	100
depth 4	100.0%	95.0%	2.0%	4.0%	7.0%	8.0%	11.0%	12.0%	12.0%	100
depth 5	100.0%	95.0%	1.0%	4.0%	5.0%	5.0%	5.0%	5.0%	5.0%	100
depth 6	100.0%	94.0%	0.0%	1.0%	1.0%	1.0%	2.0%	2.0%	2.0%	100
depth 7	100.0%	89.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	100

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

Target 1 of 600

Only with predictions

n5-00015

7 stepsLinearHas Acceptable Routes

SMILES

c1ccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)cc1

InChiKey

GMOSJDXQORTJOO-UHFFFAOYSA-N

Prediction Route

Rank 1 • Length: 6 steps • Linear

View:

Tier-0 validSolv-0[n5-stock] pass

Prediction:

in stock

legend:in stockavailable molecule