QSAR (Quantitative SAR)

A mathematical model correlating chemical structure with biological activity.

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Synthesis Antagonist Lipophilicity NMR spectroscopy In vitro Selectivity Molecular docking Synthetic route Molecular modeling Mass spectrometry (MS) IC50 Pharmacophore Cytotoxicity binding affinity Hydrogen bonding Enzyme inhibition in vivo Purification Biological Evaluation Lead Optimization Docking Studies Structure-Activity Relationship (SAR) High-Throughput Screening (HTS) Neuroprotection Metabolic Stability Anti-Alzheimer agents π-π Stacking In vitro assay H₃ receptor In vivo study Cholinesterase inhibitors ADME Bioisostere Electron-Donating Group (EDG) Electron-Withdrawing Group (EWG) IC₅₀ Ki value

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