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ResearchFormerly WizWand

Binding affinity regression on MISATO (random)

0.557R^2aa
0.405160.444580.4840.52342May 13, 2026
Updated 5mo ago

Evaluation results

MethodLinks
aaligand-aware head=MACCS-167, seeds=102026.050.5570.751.886
Vote_3Diligand-aware head=MACCS-167, seeds=102026.050.5040.7121.979
ENSEMBITSP=full, ligand-aware head=MACCS-167, seeds=102026.050.50.7111.996
ESM3structligand-aware head=MACCS-167, seeds=102026.050.4960.7062.011
ProTokenligand-aware head=MACCS-167, seeds=102026.050.4840.6972.062
3Di_tokensligand-aware head=MACCS-167, seeds=102026.050.4810.6962.072
ENSEMBITSP=1, ligand-aware head=MACCS-167, seeds=102026.050.4730.6912.105
AminoAseedligand-aware head=MACCS-167, seeds=102026.050.470.7012.115
ProtProfileMD_K8ligand-aware head=MACCS-167, seeds=102026.050.4480.6772.204
Randomligand-aware head=MACCS-167, seeds=102026.050.4110.6422.352