Quantitative structure–activity relationship models for predicting apparent rate constants of organic compounds with ferrate (VI)
Xiaochen Qi, Na Liu, Zhongen Tang, Wenjuan Ou, Chuanqi Jian, Yutao Lei
Topics & Concepts
Quantitative structure–activity relationshipChemistryApplicability domainMolecular descriptorMean squared errorReaction rate constantDegradation (telecommunications)HOMO/LUMOElectrophileComputational chemistryOrganic compoundBiological systemOrganic chemistryMoleculeKineticsStereochemistryMathematicsStatisticsComputer scienceBiologyCatalysisPhysicsTelecommunicationsQuantum mechanicsAdvanced oxidation water treatmentElectrochemical Analysis and ApplicationsWater Quality Monitoring and Analysis