SynPlanner NMCS on ref-cnv-400 | SynthArena by isChemist Group

SynPlanner NMCSonref-cnv-400

Part of the SynPlanner algorithm family

Community

1,223

Routes Found

407.4 min

Total Duration

$1.21

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
31.3%	31.0%	5.5%	7.8%	8.5%	9.0%	9.5%	9.8%	9.8%

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	51.0%	51.0%	17.0%	24.0%	25.0%	26.0%	27.0%	28.0%	28.0%	100
depth 3	30.0%	30.0%	4.0%	5.0%	5.0%	6.0%	6.0%	6.0%	6.0%	100
depth 4	24.0%	24.0%	1.0%	2.0%	4.0%	4.0%	5.0%	5.0%	5.0%	100
depth 5	20.0%	19.0%	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 400

Only with predictions

n5-00045

4 stepsConvergentHas Acceptable Routes

SMILES

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

InChiKey

QRPLRPXUJNDKKA-UHFFFAOYSA-N

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