A combination of machine learning model and density functional theory method to predict corrosion inhibition performance of new diazine derivative compounds
Muhamad Akrom, Supriadi Rustad, Adhitya Gandaryus Saputro, Aditianto Ramelan, Fadjar Fathurrahman, Hermawan Kresno Dipojono
Topics & Concepts
DiazineMaterials scienceQuantitative structure–activity relationshipDensity functional theoryCorrosionMean squared errorConsistency (knowledge bases)Biological systemComputer scienceComputational chemistryArtificial intelligenceMachine learningMathematicsChemistryStatisticsOrganic chemistryMetallurgyBiologyCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityBioactive Compounds and Antitumor Agents