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MUTAGENICITY

Benchmarks

Task NameDataset NameSOTA ResultTrend
Graph ClassificationMUTAGENICITY TUDataset
Accuracy98.7
31
Graph ClassificationMutagenicity M3→M2
Accuracy75.1
30
Graph ClassificationMutagenicity M3→M1
Accuracy78.7
30
Graph ClassificationMutagenicity M3→M0
Accuracy72.8
30
Graph ClassificationMutagenicity M2→M3
Accuracy66.8
30
Graph ClassificationMutagenicity (M2→M1)
Accuracy77.6
30
Graph ClassificationMutagenicity M2→M0
Accuracy73.7
30
Graph ClassificationMutagenicity M1→M3
Accuracy67.1
30
Graph ClassificationMutagenicity M1→M2
Accuracy73.8
30
Graph ClassificationMutagenicity M1→M0
Accuracy73.9
30
Graph ClassificationMutagenicity M0→M3
Accuracy65.2
30
Graph ClassificationMutagenicity M0→M1
Accuracy75.1
30
Graph ClassificationMutagenicity Edge Shift M0→M2
Accuracy71.9
30
Graph ClassificationMutagenicity (density-based split (M0, M1, M2, M3))
Average Transition Accuracy75.1
24
ClassificationMutagenicity M0→M2
Accuracy72
15
Graph ClassificationMutagenicity Edge Shift M0→M3
Accuracy64.2
15
Graph ClassificationMutagenicity Edge Shift M0→M1
Accuracy73.2
15
Graph ClassificationMutagenicity Node Shift M0→M2
Accuracy72
15
Functional Group DetectionMutagenicity
Fidelity-0.8
14
Graph ClassificationMutagenicity (test)
Accuracy84.8
11
Model-level counterfactual explanationMutagenicity
Validity1.31
3
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