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Molecular Property Prediction on Tox21 scaffold split

77.3ROC-AUC

GraSPNet

69.29271.37173.4575.529Feb 23, 2026
Updated 4d ago

Evaluation Results

MethodLinks
2026.02
77.3
2026.02
77.2
2026.02
76.8
2026.02
76.6
2026.02
76.5
2026.02
76
2026.02
76
2026.02
75.9
2026.02
75.8
2026.02
75.5
2026.02
74.6
2026.02
74.5
2026.02
74.5
2026.02
74.3
2026.02
74.1
73.9
2026.02
69.6