Molecular Generation on 5HT1B (Novel hit ratio)
22.69Novel Hit RatioSDG
Evaluation results
| Method | Links | |
|---|---|---|
| SDG2025.07 | 22.69 | |
| SDG♢variant=Langevin2025.07 | 21.722 | |
| SDG♡2025.07 | 21.278 | |
| MOODsampling steps=1,000, format=SMILES, number of runs=52024.12 | 18.673 | |
| MOOD2025.07 | 18.673 | |
| FREEDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 10.187 | |
| FREED2025.07 | 10.187 | |
| GDSSsampling steps=1,000, format=SMILES, number of runs=52024.12 | 4.667 | |
| GDSS2025.07 | 4.667 | |
| ChemBFNstrategy=strategy 4, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 4.587 | |
| ChemBFNstrategy=strategy 3, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 3.86 | |
| ChemBFNstrategy=strategy 2, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 3.653 | |
| ChemBFNstrategy=strategy 1, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 3.1 | |
| REINVENTsampling steps=1,000, format=SMILES, number of runs=52024.12 | 2.453 | |
| MORLDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 0.88 | |
| MORLD2025.07 | 0.88 | |
| HierVAEsampling steps=1,000, format=SMILES, number of runs=52024.12 | 0.507 | |
| HierVAE2025.07 | 0.507 | |
| MOOD-S++2026.04 | 0.2035 | |
| MOOD2026.04 | 0.1867 | |
| SDG♣variant=Stein2025.07 | 0.033 |