Abstract
The aim of study was to investigate the drug and Cyclodextrin complex thermodynamic parameters comparison between validated experimental and Computer aided software. This study shows the ease of predicting the free energy change, Change of enthalpy and change of entropy is much more as compare to that of experimental and software methods. Experimentally determined thermodynamic quantities for drugs are taken from the literature. As a result we found that computer aided software provides ease of predicting the thermodynamic parameters in simple manner and in lesser time. But, for all these drugs three thermodynamic parameters predicted were not found similar to those calculated experimentally by classical thermodynamic equation.
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