MUTAGENICITY
Benchmarks
TaskDatasetSOTA resultTrendResults
Mutagenicity M3→M2
81.6Accuracy
60
Mutagenicity M3→M1
82.4Accuracy
60
Mutagenicity M3→M0
74.5Accuracy
60
Mutagenicity M2→M3
72.5Accuracy
60
Mutagenicity (M2→M1)
87.2Accuracy
60
Mutagenicity M2→M0
78.3Accuracy
60
Mutagenicity M1→M3
70.8Accuracy
60
Mutagenicity M1→M2
79.9Accuracy
60
Mutagenicity M1→M0
78.1Accuracy
60
Mutagenicity M0→M3
66.2Accuracy
60
Mutagenicity M0→M1
77.1Accuracy
60
Mutagenicity Edge Shift M0→M2
79.1Accuracy
43
Mutagenicity
98.8Accuracy
35
MUTAGENICITY TUDataset
98.7Accuracy
31
Mutagenicity M0→M2
72Accuracy
30
Mutagenicity Edge Shift M0→M3
64.2Accuracy
28
Mutagenicity Edge Shift M0→M1
76.5Accuracy
28
Mutagenicity Node Shift M0→M2
72Accuracy
28
MUTAGENICITY
99.22AUC
24
Mutagenicity (density-based split (M0, M1, M2, M3))
75.1Average Transition Accuracy
24
Mutagenicity
84.06AUC
18
Mutagenicity Edge structural domain shift (target)
75.8Performance (M0→M1)
15
Mutagenicity Node structural domain shift (target)
77.1Performance (M0→M1)
15
Mutagenicity
58ASR
15
Mutagenicity (test)
84.8Accuracy
14