Molecular Structure
Sulfur Compounds
Volatile Organic Compounds
Structure-Activity Relationship
Plant Extracts
Drug Evaluation, Preclinical
Magnetic Resonance Spectroscopy
Heterocyclic Compounds
Inhibitory Concentration 50
Biphenyl Compounds
Small Molecule Libraries
Organotin Compounds
Aniline Compounds
Spiro Compounds
Chromatography, High Pressure Liquid
Stereoisomerism
Drug Design
The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include pharmacokinetics, dosage analysis, or drug administration analysis.