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Molecular Property Prediction on Tox21 scaffold split
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77.3
ROC-AUC
GraSPNet
69.292
71.371
73.45
75.529
Feb 23, 2026
ROC-AUC
Updated 4d ago
Evaluation Results
Method
Method
Links
ROC-AUC
GraSPNet
2026.02
77.3
Attr mask
2026.02
77.2
SimSGT
2026.02
76.8
Mole-BERT
2026.02
76.6
MGSSL
2026.02
76.5
GraphMAE
2026.02
76
GraphLOG
2026.02
76
GraphMAE2
2026.02
75.9
BGRL
2026.02
75.8
MAE
2026.02
75.5
Infomax
2026.02
74.6
ADGCL
2026.02
74.5
GraphCL
2026.02
74.5
CP
2026.02
74.3
JOAO
2026.02
74.1
No Pre-train
2026.02
73.9
S2GAE
2026.02
69.6
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