Conformal Prediction Coverage on GraphGA generated molecules (test)
100Observed CoverageUnweighted
Evaluation Results
| Method | Links | |
|---|---|---|
| UnweightedObjective=GSK3b+QED, Y=1, alpha=0.12023.10 | 100 | |
| UnweightedObjective=QED, Y=1, alpha=0.12023.10 | 99 | |
| CoDrug (Energy)Objective=GSK3b+QED, Y=1, alpha=0.12023.10 | 98 | |
| CoDrug (Energy)Objective=QED, Y=1, alpha=0.12023.10 | 98 | |
| CoDrug (Energy)Objective=QED, Y=0, alpha=0.12023.10 | 96 | |
| CoDrug (Energy)Objective=JNK3+QED, Y=1, alpha=0.12023.10 | 93 | |
| UnweightedObjective=JNK3+QED, Y=1, alpha=0.12023.10 | 89 | |
| CoDrug (Energy)Objective=GSK3b+QED, Y=0, alpha=0.12023.10 | 87 | |
| CoDrug (Energy)Objective=JNK3+QED, Y=0, alpha=0.12023.10 | 86 | |
| UnweightedObjective=JNK3+QED, Y=0, alpha=0.12023.10 | 84 | |
| UnweightedObjective=GSK3b+QED, Y=0, alpha=0.12023.10 | 75 | |
| UnweightedObjective=QED, Y=0, alpha=0.12023.10 | 69 |