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Retrosynthetic Transition Prediction on PaRoutes case study (DH376, LEI-102, LEI-105, LEI-401, LEI-515)
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81.3
Template Validity Accuracy
Transition Model
77.235
79.2675
81.3
83.3325
Oct 18, 2025
Template Validity Accuracy
Template Chemical Reasoning Accuracy
Any Valid Reactants Found Accuracy
Reactant Reasoning Correct Accuracy
Lab Reactant Match Accuracy
Invalidity Reasoning Correct Accuracy
Actionable Reactant Accuracy
Updated 12d ago
Evaluation Results
Method
Method
Links
Template Validity Accuracy
Template Chemical Reasoning Accuracy
Any Valid Reactants Found Accuracy
Reactant Reasoning Correct Accuracy
Lab Reactant Match Accuracy
Invalidity Reasoning Correct Accuracy
Actionable Reactant Accuracy
Transition Model
zero-shot=true
2025.10
81.3
87.5
89.5
89.5
73.3
100
74.5
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