The use of global and local reactivity descriptors of conceptual DFT to describe toxicity of benzoic acid derivatives
Cinthia Ramírez-Martínez, Luis Ángel Zárate-Hernández, Rosa L. Camacho-Mendoza, Simplicio González–Montiel, Amilcar Meneses‐Viveros, Julián Cruz‐Borbolla
Topics & Concepts
ChemistryBenzoic acidReactivity (psychology)Computational chemistryLogarithmDensity functional theoryQuantum chemicalStereochemistryMoleculeOrganic chemistryMathematicsAlternative medicineMedicineMathematical analysisPathologyComputational Drug Discovery MethodsFree Radicals and AntioxidantsCholinesterase and Neurodegenerative Diseases