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Research Paper Open Access
The lowest energy conformations of some antiinflammatory 2-(substituted phenyl) oxazolopyridines, 2-(substituted pyridinyl) benzimidazoles and 1H-benzimidazoles were calculated and quantitative structure-activity relationship analysis was then performed on each category of compounds using thermodynamic, electronic and spatial descriptors. The resulting QSAR equations were validated by leave-one-out cross validation method. Electronic parameter (dipole moment) and spatial parameters (molecular volume and principal moment of inertia) were found to have significant correlationship with antiinflammatory activity.
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Author(s): S K Chakravarti S C Chaturvedi