Quantum chemical descriptors in quantitative structure–activity relationship models and their applications
Liangliang Wang, Junjie Ding, Li Pan, Dongsheng Cao, Hui Jiang, Xiaoqin Ding
Topics & Concepts
Quantitative structure–activity relationshipMolecular descriptorComputer scienceQuantum chemicalFeature (linguistics)Artificial intelligenceBiochemical engineeringMachine learningBiological systemData miningChemistryMoleculeEngineeringOrganic chemistryBiologyPhilosophyLinguisticsComputational Drug Discovery MethodsFree Radicals and AntioxidantsCholinesterase and Neurodegenerative Diseases