DMS Explorer XLonref-lin-600

Part of the DirectMultiStep algorithm family

Community

17,757

Routes Found

185.2 min

Total Duration

$3.98

Cost

Aug 4, 2026

Executed

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%	76.8%	31.5%	40.8%	43.7%	45.2%	45.3%	45.5%	45.5%

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%	94.0%	49.0%	62.0%	64.0%	66.0%	67.0%	68.0%	68.0%	100
depth 3	100.0%	80.0%	30.0%	49.0%	53.0%	53.0%	53.0%	53.0%	53.0%	100
depth 4	100.0%	73.0%	26.0%	33.0%	36.0%	39.0%	39.0%	39.0%	39.0%	100
depth 5	100.0%	82.0%	37.0%	42.0%	45.0%	46.0%	46.0%	46.0%	46.0%	100
depth 6	100.0%	65.0%	26.0%	30.0%	31.0%	33.0%	33.0%	33.0%	33.0%	100
depth 7	100.0%	67.0%	21.0%	29.0%	33.0%	34.0%	34.0%	34.0%	34.0%	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: 2 steps • Linear

View:

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

Prediction:

in stock

legend:in stockavailable molecule