chemical structure 112 chemistry 71 Article 70 Molecular Structure 55 unclassified drug 38 controlled study 35 nonhuman 29 human 22 synthesis 21 Humans 19 metabolism 19 structure activity relation 19 Structure-Activity Relationship 17 Animals 16 animal 16 molecular docking 15 proton nuclear magnetic resonance 15 drug effect 14 hydrogen bond 13 isolation and purification 12 nuclear magnetic resonance spectroscopy 12 particle size 12 Molecular Docking Simulation 11 in vitro study 11 pH 11 procedures 11 carbon nuclear magnetic resonance 10 infrared spectroscopy 10 Fourier transform infrared spectroscopy 9 X ray diffraction 9