QSAR modeling with ETA indices for cytotoxicity and enzymatic activity of diverse chemicals
Arnab Seth, Probir Kumar Ojha, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipCytotoxicityPartial least squares regressionDegree of unsaturationChemistryEnzymeMolecular descriptorMolecular modelHydrogen bondStereochemistryOrganic chemistryBiochemistryMoleculeIn vitroComputer scienceMachine learningComputational Drug Discovery MethodsSpectroscopy and Chemometric AnalysesFree Radicals and Antioxidants