AiZynthFinder Retro* (High)onref-cnv-400

Part of the AiZynthFinder algorithm family

Community

6,056

Routes Found

1024.8 min

Total Duration

$3.05

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%	94.0%	5.8%	9.8%	12.5%	15.3%	17.0%	18.3%	18.3%

n = 400 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%	99.0%	17.0%	25.0%	27.0%	35.0%	39.0%	41.0%	41.0%	100
depth 3	100.0%	95.0%	2.0%	6.0%	11.0%	12.0%	15.0%	16.0%	16.0%	100
depth 4	100.0%	90.0%	4.0%	6.0%	9.0%	11.0%	11.0%	12.0%	12.0%	100
depth 5	100.0%	92.0%	0.0%	2.0%	3.0%	3.0%	3.0%	4.0%	4.0%	100

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

Target 1 of 400

Only with predictions

n5-00045

4 stepsConvergentHas Acceptable Routes

SMILES

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

InChiKey

QRPLRPXUJNDKKA-UHFFFAOYSA-N

Prediction Route

Rank 1 • Length: 2 steps • Convergent

View:

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

Prediction:

in stock

legend:in stockavailable molecule

AiZynthFinder Retro* (High) on ref-cnv-400 | SynthArena by isChemist Group