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Benchmarks
Retrosynthesis Prediction on Rare Template Evaluation (hard instances)
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14
Exact Match (Top-1)
RetroReasoner
11.92
12.46
13
13.54
Mar 13, 2026
Exact Match (Top-1)
Round-trip Accuracy (Top-1)
Exact Match (Top-100)
Round-trip Accuracy (Top-100)
Feasibility Ratio
Template Diversity
Updated 1mo ago
Evaluation Results
Method
Method
Links
Exact Match (Top-1)
Round-trip Accuracy (Top-1)
Exact Match (Top-100)
Round-trip Accuracy (Top-100)
Feasibility Ratio
Template Diversity
RetroReasoner
Optimization Strategy=SFT
2026.03
14
63
41
92
58.7
5.2
RetroReasoner
Optimization Strategy=RL
2026.03
13
70
39
95
62.5
4.25
Prediction-Only
Optimization Strategy=SFT
2026.03
12
65
24
92
56
3.2
Prediction-Only
Optimization Strategy=RL
2026.03
12
64
22
89
62.1
2.66
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