Prediction of Ultrasonic Velocity of Benzene and Acyl Derivatives through QSPR Analysis

Quantitative structure properties relationship (QSPR) study has been performed on the series of benzene and acyl compounds. In the present work we are concerned about the modeling of ultrasonic velocity. For this purpose we have performed regression analysis and several significant models were proposed. The QSPR models suggest that physicochemical parameter such as D, IOR, St show best result towards ultrasonic velocity of benzene derivatives and topological parameters such as ⁰χ, ¹χ, ²χ have been found more prominent for modeling of ultrasonic velocity of acyl derivatives. The predictive ability of QSPR models were cross validated by evaluating of the residual activity, appreciable cross validated R² values (R² _cv) by leave one out (LOO) technique.