SynthArenav0.4.0
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ref-lng-84
Reference
84 targets with extra long ground truth routes
Total Targets
84
Stock
n1+n5 Stock
Acceptable Routes
Available
Show Top-K Metrics:
Overall Metrics
Model performance comparison for n1+n5 Stock
Actions
AiZynthFinder MCTS
v4.4.0
46.4%
0.0%
0.0%
0.0%
12.5 min
$0.04
AiZynthFinder MCTS (High)
v4.4.0
59.5%
0.0%
0.0%
0.0%
38.1 min
$0.11
AiZynthFinder Retro*
v4.4.0
61.9%
0.0%
0.0%
0.0%
44.4 min
$0.13
AiZynthFinder Retro* (High)
v4.4.0
76.2%
0.0%
0.0%
0.0%
187.9 min
$0.56
DMS Explorer XL
v1.1.3
72.6%
45.2%
50.0%
50.0%
43.8 min
$0.94
Retro*
v1.0.0
86.9%
8.3%
8.3%
8.3%
5.4 min
$0.02
Retro* (High)
v1.0.0
94.0%
8.3%
8.3%
8.3%
12.1 min
$0.04
SynPlanner MCTS Rollout
v1.2.0
0.0%
0.0%
0.0%
0.0%
35.0 min
$0.10
SynPlanner MCTS Val
v1.2.0
0.0%
0.0%
0.0%
0.0%
35.5 min
$0.11
SynPlanner NMCS
v1.3.2
11.9%
0.0%
0.0%
0.0%
-
85.2 min
$0.25
Syntheseus LocalRetro
v0.7.0
36.9%
0.0%
0.0%
0.0%
23.2 min
$0.07
Efficiency Frontier
Visualizing the trade-off between performance and resources.
Solvability
AiZynthFinder MCTS
51.7%
36.4%
25.0%
AiZynthFinder MCTS (High)
67.2%
45.5%
25.0%
AiZynthFinder Retro*
70.7%
45.5%
25.0%
AiZynthFinder Retro* (High)
82.8%
63.6%
50.0%
DMS Explorer XL
72.4%
81.8%
25.0%
Retro*
87.9%
90.9%
50.0%
Retro* (High)
93.1%
100.0%
75.0%
SynPlanner MCTS Rollout
0.0%
0.0%
0.0%
SynPlanner MCTS Val
0.0%
0.0%
0.0%
SynPlanner NMCS
17.2%
0.0%
0.0%
Syntheseus LocalRetro
36.2%
36.4%
50.0%
Top-1
AiZynthFinder MCTS
0.0%
0.0%
0.0%
AiZynthFinder MCTS (High)
0.0%
0.0%
0.0%
AiZynthFinder Retro*
0.0%
0.0%
0.0%
AiZynthFinder Retro* (High)
0.0%
0.0%
0.0%
DMS Explorer XL
37.9%
68.2%
25.0%
Retro*
6.9%
13.6%
0.0%
Retro* (High)
6.9%
13.6%
0.0%
SynPlanner MCTS Rollout
0.0%
0.0%
0.0%
SynPlanner MCTS Val
0.0%
0.0%
0.0%
SynPlanner NMCS
0.0%
0.0%
0.0%
Syntheseus LocalRetro
0.0%
0.0%
0.0%
Top-5
AiZynthFinder MCTS
0.0%
0.0%
0.0%
AiZynthFinder MCTS (High)
0.0%
0.0%
0.0%
AiZynthFinder Retro*
0.0%
0.0%
0.0%
AiZynthFinder Retro* (High)
0.0%
0.0%
0.0%
DMS Explorer XL
44.8%
68.2%
25.0%
Retro*
6.9%
13.6%
0.0%
Retro* (High)
6.9%
13.6%
0.0%
SynPlanner MCTS Rollout
0.0%
0.0%
0.0%
SynPlanner MCTS Val
0.0%
0.0%
0.0%
SynPlanner NMCS
0.0%
0.0%
0.0%
Syntheseus LocalRetro
0.0%
0.0%
0.0%
Top-10
AiZynthFinder MCTS
0.0%
0.0%
0.0%
AiZynthFinder MCTS (High)
0.0%
0.0%
0.0%
AiZynthFinder Retro*
0.0%
0.0%
0.0%
AiZynthFinder Retro* (High)
0.0%
0.0%
0.0%
DMS Explorer XL
44.8%
68.2%
25.0%
Retro*
6.9%
13.6%
0.0%
Retro* (High)
6.9%
13.6%
0.0%
SynPlanner MCTS Rollout
0.0%
0.0%
0.0%
SynPlanner MCTS Val
0.0%
0.0%
0.0%
SynPlanner NMCS
0.0%
0.0%
0.0%
Syntheseus LocalRetro
0.0%
0.0%
0.0%
Efficiency Frontier
Visualizing the trade-off between performance and computational resources. Ideal models are in the top-left.
X-Axis:
Y-Axis: