Toxicity Property Prediction on LD50
0.369MAEMolSight (SigLIP2, S6)
Evaluation Results
| Method | Links | |
|---|---|---|
| MolSight (SigLIP2, S6)Category=Image-only, Configuration=single-model results2026.05 | 0.369 | |
| MolSight-BestCategory=Image-only, Configuration=best curriculum-trained architecture per task2026.05 | 0.369 | |
| BLIP-2 (LoRA)Category=VLM, requires LLM/VLM at inference=true, protocol=LoRA2026.05 | 0.49 | |
| Uni-MolCategory=3D GNN, requires 3D conformer generation=true2026.05 | 0.58 | |
| Morgan+MLP2024.08 | 0.649 | |
| GCN2024.08 | 0.649 | |
| NeuralFP2024.08 | 0.667 | |
| SMILES+CNN2024.08 | 0.675 | |
| SMILES-Mamba2024.08 | 0.678 | |
| Janus-Pro 7B (ICL)Category=VLM, requires LLM/VLM at inference=true, protocol=ICL2026.05 | 0.72 | |
| GPT-4o (ICL)Category=LLM, requires LLM/VLM at inference=true, protocol=ICL2026.05 | 0.87 |