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ResearchFormerly WizWand

Conformal Prediction Coverage on GraphGA generated molecules (test)

100Observed CoverageUnweighted
67.7676.1384.592.87Oct 18, 2023
Updated 8mo ago

Evaluation results

MethodLinks
UnweightedObjective=GSK3b+QED, Y=1, alpha=0.12023.10100
UnweightedObjective=QED, Y=1, alpha=0.12023.1099
CoDrug (Energy)Objective=GSK3b+QED, Y=1, alpha=0.12023.1098
CoDrug (Energy)Objective=QED, Y=1, alpha=0.12023.1098
CoDrug (Energy)Objective=QED, Y=0, alpha=0.12023.1096
CoDrug (Energy)Objective=JNK3+QED, Y=1, alpha=0.12023.1093
UnweightedObjective=JNK3+QED, Y=1, alpha=0.12023.1089
CoDrug (Energy)Objective=GSK3b+QED, Y=0, alpha=0.12023.1087
CoDrug (Energy)Objective=JNK3+QED, Y=0, alpha=0.12023.1086
UnweightedObjective=JNK3+QED, Y=0, alpha=0.12023.1084
UnweightedObjective=GSK3b+QED, Y=0, alpha=0.12023.1075
UnweightedObjective=QED, Y=0, alpha=0.12023.1069