NCI1
Benchmarks
TaskDatasetSOTA resultTrendResults
NCI1
95.17Accuracy
707
NCI1 (test)
87.5Accuracy
190
NCI1 (10-fold cross-validation)
88.1Accuracy
119
NCI1 N3→N2
73.2Accuracy
60
NCI1 N3→N1
64.3Accuracy
60
NCI1 N3→N0
75.4Accuracy
60
NCI1 N2→N3
77.3Accuracy
60
NCI1 N2→N1
77.5Accuracy
60
NCI1 N2→N0
76Accuracy
60
NCI1 N1→N3
0.713Accuracy
60
NCI1 N1→N2
72.2Accuracy
60
NCI1 N1→N0
83.7Accuracy
60
NCI1 N0→N3
69.4Accuracy
60
NCI1 N0→N2
63.2Accuracy
60
NCI1 N0→N1
68.4Accuracy
60
NCI1 TUDataset
95.7Accuracy
44
NCI1
78.61F1 Score
35
NCI1
79AUC
33
NCI1
81.7AUC
27
NCI1 TUDataset (10-fold cross-validation)
86Accuracy
26
NCI1
96Fidelity
24
NCI1 (10-fold cross-validation)
83.24Accuracy
21
NCI1
85.4Explanation Accuracy
20
NCI1
0.755MCC
18
NCI1 size shift (test)
0.39MCC
17