Molecular Generation on PARP1 (Novel hit ratio)
701.7Novel Hit RatioMOOD
Evaluation results
| Method | Links | |
|---|---|---|
| MOODsampling steps=1,000, format=SMILES, number of runs=52024.12 | 701.7 | |
| ChemBFNstrategy=strategy 4, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 559.3 | |
| ChemBFNstrategy=strategy 1, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 504 | |
| ChemBFNstrategy=strategy 2, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 466 | |
| ChemBFNstrategy=strategy 3, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 428.7 | |
| FREEDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 362.7 | |
| GDSSsampling steps=1,000, format=SMILES, number of runs=52024.12 | 193.3 | |
| HierVAEsampling steps=1,000, format=SMILES, number of runs=52024.12 | 55.3 | |
| REINVENTsampling steps=1,000, format=SMILES, number of runs=52024.12 | 48 | |
| MOOD-S++2026.04 | 8.286 | |
| MOOD2026.04 | 7.017 | |
| MORLDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 4.7 |