SynthArenav0.4.0
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ref-cnv-400
Reference
400 targets with convergent ground truth routes of variable length. Part of the Procrustes suite.
Total Targets
400
Stock
n5 Stock
Acceptable Routes
Available
Show Top-K Metrics:
Overall Metrics
Model performance comparison for n5 Stock
Actions
AiZynthFinder MCTS
v4.4.0
81.3%
17.3%
25.8%
27.8%
61.1 min
$0.18
AiZynthFinder MCTS (High)
v4.4.0
87.3%
19.0%
29.3%
32.5%
197.4 min
$0.59
AiZynthFinder Retro*
v4.4.0
87.5%
8.0%
16.3%
21.0%
319.2 min
$0.95
AiZynthFinder Retro* (High)
v4.4.0
94.0%
5.8%
12.5%
15.3%
1024.8 min
$3.05
DMS Explorer XL
v1.1.3
77.5%
35.8%
46.0%
46.8%
131.9 min
$2.84
Retro*
v1.0.0
96.5%
31.5%
31.5%
31.5%
12.0 min
$0.04
Retro* (High)
v1.0.0
99.5%
31.5%
31.5%
31.5%
16.7 min
$0.05
SynPlanner MCTS Rollout
v1.3.2
40.3%
3.5%
4.8%
5.0%
-
113.6 min
$0.34
SynPlanner MCTS Val
v1.3.2
26.5%
3.0%
5.5%
6.5%
-
198.3 min
$0.59
SynPlanner NMCS
v1.3.2
30.5%
5.5%
8.3%
8.8%
-
407.4 min
$1.21
Syntheseus LocalRetro
v0.7.0
74.8%
6.0%
11.3%
13.3%
104.3 min
$0.31
Efficiency Frontier
Visualizing the trade-off between performance and resources.
Solvability
AiZynthFinder MCTS
93.0%
87.0%
69.0%
76.0%
AiZynthFinder MCTS (High)
98.0%
91.0%
80.0%
80.0%
AiZynthFinder Retro*
97.0%
90.0%
83.0%
80.0%
AiZynthFinder Retro* (High)
99.0%
95.0%
90.0%
92.0%
DMS Explorer XL
86.0%
72.0%
77.0%
75.0%
Retro*
97.0%
98.0%
93.0%
98.0%
Retro* (High)
100.0%
100.0%
98.0%
100.0%
SynPlanner MCTS Rollout
55.0%
37.0%
36.0%
33.0%
SynPlanner MCTS Val
55.0%
26.0%
16.0%
9.0%
SynPlanner NMCS
49.0%
30.0%
24.0%
19.0%
Syntheseus LocalRetro
84.0%
84.0%
65.0%
66.0%
Top-1
AiZynthFinder MCTS
45.0%
14.0%
6.0%
4.0%
AiZynthFinder MCTS (High)
53.0%
13.0%
6.0%
4.0%
AiZynthFinder Retro*
21.0%
5.0%
5.0%
1.0%
AiZynthFinder Retro* (High)
17.0%
2.0%
4.0%
0.0%
DMS Explorer XL
37.0%
30.0%
40.0%
36.0%
Retro*
52.0%
26.0%
20.0%
28.0%
Retro* (High)
52.0%
27.0%
20.0%
27.0%
SynPlanner MCTS Rollout
10.0%
3.0%
1.0%
0.0%
SynPlanner MCTS Val
11.0%
1.0%
0.0%
0.0%
SynPlanner NMCS
17.0%
4.0%
1.0%
0.0%
Syntheseus LocalRetro
15.0%
7.0%
1.0%
1.0%
Top-5
AiZynthFinder MCTS
57.0%
25.0%
11.0%
10.0%
AiZynthFinder MCTS (High)
72.0%
29.0%
12.0%
4.0%
AiZynthFinder Retro*
37.0%
11.0%
11.0%
6.0%
AiZynthFinder Retro* (High)
27.0%
11.0%
9.0%
3.0%
DMS Explorer XL
55.0%
41.0%
44.0%
44.0%
Retro*
52.0%
26.0%
20.0%
28.0%
Retro* (High)
52.0%
27.0%
20.0%
27.0%
SynPlanner MCTS Rollout
14.0%
3.0%
2.0%
0.0%
SynPlanner MCTS Val
21.0%
1.0%
0.0%
0.0%
SynPlanner NMCS
24.0%
5.0%
4.0%
0.0%
Syntheseus LocalRetro
27.0%
12.0%
2.0%
4.0%
Top-10
AiZynthFinder MCTS
61.0%
28.0%
12.0%
10.0%
AiZynthFinder MCTS (High)
78.0%
34.0%
13.0%
5.0%
AiZynthFinder Retro*
44.0%
17.0%
15.0%
8.0%
AiZynthFinder Retro* (High)
35.0%
12.0%
11.0%
3.0%
DMS Explorer XL
56.0%
41.0%
45.0%
45.0%
Retro*
52.0%
26.0%
20.0%
28.0%
Retro* (High)
52.0%
27.0%
20.0%
27.0%
SynPlanner MCTS Rollout
15.0%
3.0%
2.0%
0.0%
SynPlanner MCTS Val
25.0%
1.0%
0.0%
0.0%
SynPlanner NMCS
25.0%
6.0%
4.0%
0.0%
Syntheseus LocalRetro
28.0%
14.0%
6.0%
5.0%
Efficiency Frontier
Visualizing the trade-off between performance and computational resources. Ideal models are in the top-left.
X-Axis:
Y-Axis: