Molecular Optimization on hERG withdrawn drugs
5.37Improvement (%)MolLingo
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| MolLingoBackbone=Claude-4.6-Sonnet2026.05 | 5.37 | 54.966 | 295.467 | 0.549 | 3.289 | 100 | |
| MolLingoBackbone=GPT-5.42026.05 | 4.05 | 42.878 | 173.736 | 0.492 | 3.276 | 100 | |
| Qwen2-7B-InstructBase=Raw SMILES2026.05 | 2.974 | 14.276 | 42.476 | 0.568 | 2.707 | 100 | |
| Qwen2-14B-InstructBase=Raw SMILES2026.05 | 2.974 | 14.276 | 42.476 | 0.568 | 2.707 | 100 | |
| MolLingoBackbone=Gemini-3-Pro2026.05 | 0.675 | 51.186 | 34.526 | 0.553 | 3.196 | 100 | |
| Claude-4.6-SonnetBase=Raw SMILES2026.05 | 0.48 | 22.119 | 10.617 | 0.706 | 2.645 | 93.939 | |
| Gemini-3-ProBase=Raw SMILES2026.05 | -0.562 | 16.085 | -9.04 | 0.632 | 3.119 | 98.589 | |
| GPT-5.4Base=Raw SMILES2026.05 | -0.571 | 15.889 | -9.072 | 0.685 | 3.005 | 96.364 |