SynthArenav0.4.0
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  5. AiZynthFinder MCTS (High) on ref-lin-600
Target 1 of 600

AiZynthFinder MCTS (High)onref-lin-600

Part of the AiZynthFinder algorithm family
Verified
7,627
Routes Found
250.9 min
Total Duration
$0.75
Cost
Dec 3, 2025
Executed
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
88.8%9.7%13.5%16.0%17.7%19.2%21.5%22.0%22.5%22.5%22.5%22.5%22.5%

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
298.0%43.0%57.0%63.0%67.0%69.0%73.0%74.0%75.0%75.0%75.0%75.0%75.0%100
395.0%13.0%18.0%24.0%27.0%32.0%39.0%40.0%41.0%41.0%41.0%41.0%41.0%100
487.0%1.0%4.0%6.0%9.0%10.0%12.0%13.0%13.0%13.0%13.0%13.0%13.0%100
588.0%1.0%2.0%3.0%3.0%4.0%5.0%5.0%5.0%5.0%5.0%5.0%5.0%100
686.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%1.0%1.0%1.0%1.0%1.0%100
779.0%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 2 • Length: 6 steps • Convergent
View:
Unsolved
/ 10
Acceptable Route 1
Not in Stock
Not in Stock
In Stock
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In Stock
Not in Stock
In Stock
In Stock
In Stock
In Stock
In Stock
React Flow
Press enter or space to select a node. You can then use the arrow keys to move the node around. Press delete to remove it and escape to cancel.
Press enter or space to select an edge. You can then press delete to remove it or escape to cancel.
Prediction
Not in Stock
Not in Stock
Not in Stock
Not in Stock
In Stock
Not in Stock
In Stock
In Stock
In Stock
Not in Stock
In Stock
Not in Stock
In Stock
Not in Stock
Not in Stock
In Stock
Not in Stock
In Stock
React Flow
Press enter or space to select a node. You can then use the arrow keys to move the node around. Press delete to remove it and escape to cancel.
Press enter or space to select an edge. You can then press delete to remove it or escape to cancel.
Legend:
Match
Extension