QSAR analysis of the toxicity of benzene derivatives

Benzene derivatives compounds have been used for many years in the chemical andpharmaceutical industry as food additives, gasoline additives, solvent, medicine and so on.Quantitative structure – activity relationships (QSAR) have provided a valuable approach inresearch into the toxicity of organic chemicals [1, 2]. Many investigators have used the 1-octanol/water partition coefficient (logP) dependent QSAR as a basis for predicting thetoxicity. Recently, some QSAR studies applying theoretical approaches to predict the toxicityhave been reported [3- 7].A QSAR analysis has been carried out on the toxicities of 40 mono-substituted nitro benzene[8].