Reaction Feasibility Prediction on FREA Feasible 1.0 (test)
99.8AccuracyTheoretical Upper Bound
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| Theoretical Upper Bound2026.05 | 99.8 | 99.9 | |
| ARMORCategory=LLM-based Methods, Backbone=T3Q-Qwen-14B2026.05 | 91.57 | 91.61 | |
| ChemformerLlamaCategory=Single-Tool Methods, Backbone=Llama2026.05 | 90.7 | 69.69 | |
| ICLLlamaCategory=Single-Tool Methods, Backbone=Llama2026.05 | 89.93 | 66.71 | |
| GPT-5.4-miniCategory=LLM-based Methods2026.05 | 87.93 | 78.55 | |
| HarderMoECategory=Dynamic Methods2026.05 | 86.03 | 89.12 | |
| MolecularLlamaCategory=Single-Tool Methods, Backbone=Llama2026.05 | 84.97 | 68.5 | |
| DES-ClusteringCategory=Dynamic Methods2026.05 | 84.9 | 75.33 | |
| Majority VotingCategory=Statistical Methods2026.05 | 82.53 | 82.82 | |
| KNORA-ECategory=Dynamic Methods2026.05 | 82.53 | 82.82 | |
| StaticSelCategory=Statistical Methods2026.05 | 81.87 | 75.98 | |
| Weighted VotingCategory=Statistical Methods2026.05 | 81.5 | 85.65 | |
| ChemformerT3QCategory=Single-Tool Methods, Backbone=T3Q2026.05 | 80.33 | 72.8 | |
| KNORA-UCategory=Dynamic Methods2026.05 | 80.33 | 81.57 | |
| BERTCategory=Single-Tool Methods2026.05 | 80.3 | 86.9 | |
| MolecularT3QCategory=Single-Tool Methods, Backbone=T3Q2026.05 | 79.77 | 73.97 | |
| ToolEyesCategory=LLM-based Methods2026.05 | 79.73 | 86.21 | |
| DeepSeek-v4-flashCategory=LLM-based Methods2026.05 | 77.13 | 80.15 | |
| DES-KNNCategory=Dynamic Methods2026.05 | 76.57 | 75.98 | |
| ICLT3QCategory=Single-Tool Methods, Backbone=T3Q2026.05 | 76.27 | 67.56 | |
| Claude-Sonnet-4.6Category=LLM-based Methods2026.05 | 74.57 | 83.77 | |
| MolecularCategory=Single-Tool Methods2026.05 | 71.33 | 80.12 | |
| Random SelectionCategory=Statistical Methods2026.05 | 68.67 | 67.86 | |
| ChemformerCategory=Single-Tool Methods2026.05 | 68.23 | 79.02 | |
| DRFPCategory=Single-Tool Methods2026.05 | 66.13 | 77.33 | |
| PromptingT3QCategory=Single-Tool Methods, Backbone=T3Q2026.05 | 54.3 | 56.43 | |
| PromptingLlamaCategory=Single-Tool Methods, Backbone=Llama2026.05 | 23.37 | 33.69 | |
| Dora_xgbCategory=Single-Tool Methods2026.05 | 22 | 30.9 |