fig2

Graph neural networks for molecular and materials representation

Figure 2. The annual trend of research literature on the MMR included by Google Scholar. GAT: graph attention networks; GCN: graph convolutional network; InChI: international chemical identifier; MACCS: molecular ACCess system; MMR: Material molecular representation; ROCS: rapid overlay of chemical structures; SMILES: simplified molecular input line entry specification; UGRNN: undirected graph recursive neural networks.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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