Molecular Optimization on PMO (Practical Molecular Optimization)
0.471Albuterol SimilaritySynNet GA
Evaluation results
| Method | Links | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SynNet GAevaluation_protocol=AUC Top-100, number_of_runs=52024.09 | 0.471 | 0.517 | 0.655 | 0.354 | 0.578 | 0.567 | 0.473 | 0.188 | 0.189 | 0.374 | 0.723 | 0.487 | 0.715 | 0.456 | 0.156 | 0.31 | 0.25 | 0.039 | 0.397 | |
| dREINFORCEevaluation_protocol=AUC Top-100, number_of_runs=52024.09 | 0.438 | 0.518 | 0.62 | 0.347 | 0.581 | 0.545 | 0.435 | 0.166 | 0.213 | 0.332 | 0.736 | 0.464 | 0.707 | 0.471 | 0.152 | 0.3 | 0.233 | 0.12 | 0.379 |