데이터셋 탐색

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. Source: Fast and Deep Graph Neural Networks

Mutagenicity is a chemical compound dataset of drugs, which can be categorized into two classes: mutagen and non-mutagen. Source: Hierarchical Graph Pooling with Structure Learning