Data-driven corrosion inhibition efficiency prediction model incorporating 2D–3D molecular graphs and inhibitor concentration
Jinbo Ma, Jiaxin Dai, Xin Guo, Dongmei Fu, Lingwei Ma, Patrick Keil, J.M.C. Mol, Dawei Zhang, Dawei Zhang
Topics & Concepts
CorrosionCorrosion inhibitorMaterials scienceCarbon steelMoleculeBiological systemGraphQuantitative structure–activity relationshipChemistryComputer scienceMetallurgyStereochemistryOrganic chemistryBiologyTheoretical computer scienceCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals