A graph convolution network with subgraph embedding for mutagenic prediction in aromatic hydrocarbons
Hyung-Jun Moon, Seok-Jun Bu, Sung‐Bae Cho
Topics & Concepts
EmbeddingComputer scienceGraphPolycyclic aromatic hydrocarbonBenzeneConvolution (computer science)Molecular graphTheoretical computer scienceChemistryArtificial intelligenceArtificial neural networkOrganic chemistryComputational Drug Discovery MethodsMachine Learning in Materials ScienceMachine Learning in Bioinformatics