ASKCOS on ref-lin-600 | SynthArena by isChemist Group

ASKCOSonref-lin-600

Part of the ASKCOS algorithm family

Community

66,566

Routes Found

300.9 min

Total Duration

$3.58

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
72.7%	35.5%	0.7%	1.8%	2.3%	2.7%	3.2%	3.3%	3.3%

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	82.0%	53.0%	3.0%	6.0%	7.0%	8.0%	9.0%	9.0%	9.0%	100
depth 3	77.0%	46.0%	0.0%	2.0%	3.0%	4.0%	4.0%	5.0%	5.0%	100
depth 4	79.0%	38.0%	0.0%	2.0%	3.0%	3.0%	5.0%	5.0%	5.0%	100
depth 5	74.0%	34.0%	1.0%	1.0%	1.0%	1.0%	1.0%	1.0%	1.0%	100
depth 6	66.0%	26.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	100
depth 7	58.0%	16.0%	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: 4 steps • Linear

View:

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

Prediction:

in stock

legend:in stockavailable molecule