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  5. ASKCOS on mkt-lin-500-single-gt
ASKCOS
Benchmark
mkt-lin-500-single-gt
Total Routes
77395
Executed
December 3rd, 2025
Acceptable Routes
Available
Target 1 of 500
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
94.4%0.8%2.0%2.4%2.8%3.4%3.8%5.4%7.4%9.2%9.8%9.8%9.8%

n = 500 targets

Metrics by Route Length
Performance breakdown by acceptable route length.
LengthSolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000n
298.0%3.0%5.0%7.0%7.0%9.0%10.0%14.0%18.0%20.0%21.0%21.0%21.0%100
396.0%1.0%4.0%4.0%6.0%6.0%7.0%8.0%11.0%13.0%13.0%13.0%13.0%100
496.0%0.0%1.0%1.0%1.0%2.0%2.0%5.0%8.0%13.0%14.0%14.0%14.0%100
595.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%1.0%1.0%1.0%100
687.0%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).

n5-00022

6 stepsLinearHas Acceptable Routes

SMILES

COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C

InChiKey

HMTKDIMDUAJTBJ-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 5 steps • Convergent
Solved
Solvability evaluated against: ASKCOS Buyables Stock
View:
Single route available
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Rank:
Rank 1 of 200
React Flow
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Hash: c3d4d6d4edceccb2071bee2af880697eac1e9cb5341b284aa0e707dd5dcd05d7