Molecular Generation on JAK2 (Novel hit ratio)
920Novel Hit RatioMOOD
Evaluation results
| Method | Links | |
|---|---|---|
| MOODsampling steps=1,000, format=SMILES, number of runs=52024.12 | 920 | |
| ChemBFNstrategy=strategy 4, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 526 | |
| FREEDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 452 | |
| ChemBFNstrategy=strategy 3, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 409.3 | |
| ChemBFNstrategy=strategy 2, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 404 | |
| ChemBFNstrategy=strategy 1, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 397.3 | |
| GDSSsampling steps=1,000, format=SMILES, number of runs=52024.12 | 116.7 | |
| REINVENTsampling steps=1,000, format=SMILES, number of runs=52024.12 | 61.3 | |
| MORLDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 22.7 | |
| HierVAEsampling steps=1,000, format=SMILES, number of runs=52024.12 | 22.7 | |
| MOOD2026.04 | 9.2 | |
| MOOD2025.07 | 9.2 | |
| MOOD-S++2026.04 | 9.167 | |
| SDG2025.07 | 9.167 | |
| SDG♢variant=Langevin2025.07 | 8.722 | |
| SDG♡2025.07 | 8.312 | |
| FREED2025.07 | 4.52 | |
| GDSS2025.07 | 1.167 | |
| HierVAE2025.07 | 0.227 | |
| MORLD2025.07 | 0.227 | |
| SDG♣variant=Stein2025.07 | 0 |