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Reaction Feasibility Prediction on FREA Feasible 1.0 (test)

99.8AccuracyTheoretical Upper Bound
18.88839.89460.981.906May 8, 2026

Evaluation results

MethodLinks
Theoretical Upper Bound2026.0599.899.9
ARMORCategory=LLM-based Methods, Backbone=T3Q-Qwen-14B2026.0591.5791.61
ChemformerLlamaCategory=Single-Tool Methods, Backbone=Llama2026.0590.769.69
ICLLlamaCategory=Single-Tool Methods, Backbone=Llama2026.0589.9366.71
GPT-5.4-miniCategory=LLM-based Methods2026.0587.9378.55
HarderMoECategory=Dynamic Methods2026.0586.0389.12
MolecularLlamaCategory=Single-Tool Methods, Backbone=Llama2026.0584.9768.5
DES-ClusteringCategory=Dynamic Methods2026.0584.975.33
Majority VotingCategory=Statistical Methods2026.0582.5382.82
KNORA-ECategory=Dynamic Methods2026.0582.5382.82
StaticSelCategory=Statistical Methods2026.0581.8775.98
Weighted VotingCategory=Statistical Methods2026.0581.585.65
ChemformerT3QCategory=Single-Tool Methods, Backbone=T3Q2026.0580.3372.8
KNORA-UCategory=Dynamic Methods2026.0580.3381.57
BERTCategory=Single-Tool Methods2026.0580.386.9
MolecularT3QCategory=Single-Tool Methods, Backbone=T3Q2026.0579.7773.97
ToolEyesCategory=LLM-based Methods2026.0579.7386.21
DeepSeek-v4-flashCategory=LLM-based Methods2026.0577.1380.15
DES-KNNCategory=Dynamic Methods2026.0576.5775.98
ICLT3QCategory=Single-Tool Methods, Backbone=T3Q2026.0576.2767.56
Claude-Sonnet-4.6Category=LLM-based Methods2026.0574.5783.77
MolecularCategory=Single-Tool Methods2026.0571.3380.12
Random SelectionCategory=Statistical Methods2026.0568.6767.86
ChemformerCategory=Single-Tool Methods2026.0568.2379.02
DRFPCategory=Single-Tool Methods2026.0566.1377.33
PromptingT3QCategory=Single-Tool Methods, Backbone=T3Q2026.0554.356.43
PromptingLlamaCategory=Single-Tool Methods, Backbone=Llama2026.0523.3733.69
Dora_xgbCategory=Single-Tool Methods2026.052230.9