MUTAG
GraphsUnknown
In particular, MUTAG is a collection of nitroaromatic compounds and the goal is to predict their mutagenicity on Salmonella typhimurium. Input graphs are used to represent chemical compounds, where vertices stand for atoms and are labeled by the atom type (represented by one-hot encoding), while edges between vertices represent bonds between the corresponding atoms. It includes 188 samples of chemical compounds with 7 discrete node labels.
Benchmarks
Classification/AccuracyClassification/Accuracy (10-fold)Classification/Mean AccuracyClassification/Accuracy (10 fold)Explainable artificial intelligence/fidelityGraph Classification/AccuracyGraph Classification/Accuracy (10-fold)Graph Classification/Mean AccuracyGraph Classification/Accuracy (10 fold)Node Classification/Accuracy