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Regression on LD50

0.7095RMSEChemATP
-28.778656170.266397369.31145568.356503Dec 22, 2025

Evaluation results

MethodLinks
ChemATPBackbone=DeepSeek-V3.22025.120.7095
MoleculeSTM2025.120.8047
TokenMol2025.120.94
DA+FSBackbone=DeepSeek-V3.2, Few-Shot=true2025.121.1385
CoT+FSBackbone=DeepSeek-V3.2, Few-Shot=true2025.1212.7961
DABackbone=DeepSeek-V3.2, Few-Shot=false2025.12297.4678
CoTBackbone=DeepSeek-V3.2, Few-Shot=false2025.12737.9134