Development and validation of QSPR models for corrosion inhibition of carbon steel by some pyridazine derivatives in acidic medium
El Hassan El Assiri, M. Driouch, Jamila Lazrak, Zakariae Bensouda, Ali Elhaloui, M. Sfaira, Taoufiq Saffaj, Mustapha Taleb
Abstract
, for the two correspondingly models.
Topics & Concepts
Quantitative structure–activity relationshipChemistryElectronegativityElectron affinity (data page)Principal component analysisMolecular descriptorDensity functional theoryHOMO/LUMOPrincipal component regressionPartial least squares regressionComputational chemistryIonization energyMoleculeMathematicsStereochemistryOrganic chemistryStatisticsIonizationIonCorrosion Behavior and InhibitionComputational Drug Discovery MethodsConcrete Corrosion and Durability