Conformal Prediction Coverage on REINVENT generated molecules (test)
100CoverageUnweighted
Evaluation Results
| Method | Links | |
|---|---|---|
| UnweightedObjective=GSK3b+QED, Y=1, alpha=0.12023.10 | 100 | |
| UnweightedObjective=JNK3+QED, Y=1, alpha=0.12023.10 | 99 | |
| CoDrug (Energy)Objective=QED, Y=0, alpha=0.12023.10 | 96 | |
| CoDrug (Energy)Objective=JNK3+QED, Y=0, alpha=0.12023.10 | 95 | |
| CoDrug (Energy)Objective=QED, Y=1, alpha=0.12023.10 | 92 | |
| CoDrug (Energy)Objective=JNK3+QED, Y=1, alpha=0.12023.10 | 91 | |
| UnweightedObjective=QED, Y=1, alpha=0.12023.10 | 84 | |
| UnweightedObjective=QED, Y=0, alpha=0.12023.10 | 83 | |
| CoDrug (Energy)Objective=GSK3b+QED, Y=0, alpha=0.12023.10 | 81 | |
| CoDrug (Energy)Objective=GSK3b+QED, Y=1, alpha=0.12023.10 | 79 | |
| UnweightedObjective=JNK3+QED, Y=0, alpha=0.12023.10 | 62 | |
| UnweightedObjective=GSK3b+QED, Y=0, alpha=0.12023.10 | 44 |