Cross-category prediction of corrosion inhibitor performance based on molecular graph structures via a three-level message passing neural network model
Jiaxin Dai, Dongmei Fu, Guangxuan Song, Lingwei Ma, Xin Guo, J.M.C. Mol, Ivan Cole, Dawei Zhang
Topics & Concepts
CorrosionCorrosion inhibitorArtificial neural networkComputer scienceGraphMaterials scienceArtificial intelligenceComposite materialTheoretical computer scienceCorrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability