Molecular Optimization on PMO (Diversity Evaluation)
0.744DRD2 Diversity ScoredREINFORCE
Evaluation results
| Method | Links | |||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| dREINFORCENumber of independent runs=52024.09 | 0.744 | 0.617 | 0.526 | 0.783 | 0.81 | 0.649 | 0.659 | 0.722 | 0.774 | 0.798 | 0.825 | 0.795 | 0.725 | 0.762 | 0.731 | 0.699 | 0.633 | 0.759 | 0.82 | 0.64 | 0.745 | 0.84 | 0.756 | |
| SynNet GANumber of independent runs=52024.09 | 0.711 | 0.682 | 0.728 | 0.754 | 0.778 | 0.734 | 0.678 | 0.685 | 0.78 | 0.808 | 0.807 | 0.72 | 0.757 | 0.7 | 0.79 | 0.712 | 0.718 | 0.78 | 0.799 | 0.697 | 0.746 | 0.825 | 0.734 |