SynthArenav0.3.0
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  5. ASKCOS on ref-lin-600
ASKCOS
Benchmark
ref-lin-600
Total Routes
65721
Executed
December 3rd, 2025
Duration
300.9 min
Total Cost
$3.58
Acceptable Routes
Available
Target 1 of 600
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
SolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000
35.5%0.5%0.7%1.3%1.5%1.8%2.0%2.5%2.7%2.7%2.7%2.7%2.7%

n = 600 targets

Metrics by Route Length
Performance breakdown by acceptable route length.
LengthSolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000n
253.0%2.0%2.0%3.0%3.0%4.0%4.0%5.0%5.0%5.0%5.0%5.0%5.0%100
346.0%0.0%1.0%2.0%2.0%3.0%4.0%4.0%5.0%5.0%5.0%5.0%5.0%100
438.0%0.0%0.0%2.0%3.0%3.0%3.0%5.0%5.0%5.0%5.0%5.0%5.0%100
534.0%1.0%1.0%1.0%1.0%1.0%1.0%1.0%1.0%1.0%1.0%1.0%1.0%100
626.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%100
716.0%0.0%0.0%0.0%0.0%0.0%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).

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 • Convergent
Unsolved
Solvability evaluated against: n5 Stock
View:
Single route available
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Rank:
Rank 1 of 32
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Hash: a5b6f39068b408a374b58427dba766570b14bc50dd27084400eb143855b1202e