Molecular Optimization on Molecular Pharmacology Optimization
0.2712Overall Optimization ScoreDrugR
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| DrugRModel variant=Full2026.02 | 0.2712 | 0.4364 | 0.6409 | 0.7712 | 0.9877 | |
| DrugR (w/o RL)Model variant=w/o RL2026.02 | 0.233 | 0.3155 | 0.7809 | 0.7196 | 0.9846 | |
| DrugR (SFT)Training protocol=SFT2026.02 | 0.2293 | 0.429 | 0.7992 | 0.6874 | 0.9795 | |
| ether02026.02 | 0.2149 | 0.1265 | 0.2207 | 0.6116 | 0.4613 | |
| ChemDFM2026.02 | 0.1997 | 0.1326 | 0.1474 | 0.5272 | 0.3165 | |
| GPT52026.02 | 0.1969 | 0.2209 | 0.3677 | 0.5721 | 0.857 | |
| DeepSeek-R12026.02 | 0.1787 | 0.1911 | 0.4793 | 0.7011 | 0.8462 | |
| LLaMA3-8B2026.02 | 0.1551 | 0.1354 | 0.2843 | 0.5339 | 0.7411 | |
| ExLLM2026.02 | 0.1429 | 0.1154 | 0.7291 | 0.527 | 0.4613 | |
| diffusion2026.02 | 0.1326 | — | 0.8083 | — | — | |
| DrugR (Pre-training)Training protocol=Pre-training2026.02 | 0.0836 | 0.0773 | 0.2667 | 0.3774 | 0.0073 | |
| mobo2026.02 | 0.061 | — | 0.9992 | — | — | |
| DrugR (w/o reasoning)Model variant=w/o reasoning2026.02 | 0.0151 | — | 0.1297 | — | — |