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ResearchFormerly WizWand

Conformal Prediction Coverage on REINVENT generated molecules (test)

100CoverageUnweighted
41.7656.887287.12Oct 18, 2023
Updated 8mo ago

Evaluation results

MethodLinks
UnweightedObjective=GSK3b+QED, Y=1, alpha=0.12023.10100
UnweightedObjective=JNK3+QED, Y=1, alpha=0.12023.1099
CoDrug (Energy)Objective=QED, Y=0, alpha=0.12023.1096
CoDrug (Energy)Objective=JNK3+QED, Y=0, alpha=0.12023.1095
CoDrug (Energy)Objective=QED, Y=1, alpha=0.12023.1092
CoDrug (Energy)Objective=JNK3+QED, Y=1, alpha=0.12023.1091
UnweightedObjective=QED, Y=1, alpha=0.12023.1084
UnweightedObjective=QED, Y=0, alpha=0.12023.1083
CoDrug (Energy)Objective=GSK3b+QED, Y=0, alpha=0.12023.1081
CoDrug (Energy)Objective=GSK3b+QED, Y=1, alpha=0.12023.1079
UnweightedObjective=JNK3+QED, Y=0, alpha=0.12023.1062
UnweightedObjective=GSK3b+QED, Y=0, alpha=0.12023.1044