SynPlanner NMCS on ref-lin-600 | SynthArena by isChemist Group

SynPlanner NMCSonref-lin-600

Part of the SynPlanner algorithm family

Community

5,258

Routes Found

610.6 min

Total Duration

$1.82

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
47.2%	46.8%	9.2%	11.5%	12.0%	12.8%	13.7%	14.3%	14.3%

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	75.0%	74.0%	37.0%	40.0%	41.0%	42.0%	44.0%	46.0%	46.0%	100
depth 3	59.0%	59.0%	12.0%	21.0%	22.0%	24.0%	24.0%	26.0%	26.0%	100
depth 4	59.0%	59.0%	6.0%	8.0%	9.0%	11.0%	13.0%	13.0%	13.0%	100
depth 5	39.0%	39.0%	0.0%	0.0%	0.0%	0.0%	1.0%	1.0%	1.0%	100
depth 6	33.0%	32.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	100
depth 7	18.0%	18.0%	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

No predictions found for this target. The model did not generate any routes.