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Application of density functional theory (DFT) and response surface methodology (RSM) in drug discovery

Iqrar Ahmad, Vilas Jagatap, Harun Patel

2023Elsevier eBooks20 citationsDOI

Topics & Concepts

Density functional theoryDrugDrug discoveryMoleculeComputer scienceComputational chemistryNanotechnologyBiological systemChemistryMaterials scienceCombinatorial chemistryBiochemical engineeringPharmacologyEngineeringOrganic chemistryBiologyBiochemistryComputational Drug Discovery MethodsBioactive Compounds and Antitumor AgentsSynthesis and biological activity
Application of density functional theory (DFT) and response surface methodology (RSM) in drug discovery | Litcius