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Toxicity Property Prediction on LD50

0.369MAEMolSight (SigLIP2, S6)
0.348960.484230.61950.75477Aug 11, 2024Nov 25, 2024Mar 11, 2025Jun 26, 2025Oct 10, 2025Jan 24, 2026May 11, 2026

Evaluation results

MethodLinks
MolSight (SigLIP2, S6)Category=Image-only, Configuration=single-model results2026.050.369
MolSight-BestCategory=Image-only, Configuration=best curriculum-trained architecture per task2026.050.369
BLIP-2 (LoRA)Category=VLM, requires LLM/VLM at inference=true, protocol=LoRA2026.050.49
Uni-MolCategory=3D GNN, requires 3D conformer generation=true2026.050.58
Morgan+MLP2024.080.649
GCN2024.080.649
NeuralFP2024.080.667
SMILES+CNN2024.080.675
SMILES-Mamba2024.080.678
Janus-Pro 7B (ICL)Category=VLM, requires LLM/VLM at inference=true, protocol=ICL2026.050.72
GPT-4o (ICL)Category=LLM, requires LLM/VLM at inference=true, protocol=ICL2026.050.87