QSTR Study of Some Dioxins Using Quantum Molecular Descriptors

A quantitative risk assessment becomes increasingly important in the modern society and is slowly incorporated into legislation of different countries. For instance, the European Union in 2006 introduced the Registration, Evaluation and Authorization of Chemicals (REACH) program for assessment of human and environmental risk of all chemicals that are produced or imported in the amount greater than 1 ton per year. It is clear that if such a risk assessment is performed purely experimentally, it would require a huge amount of resources as well as time. Therefore, the introduced program encouraged the use of QSAR/QSTR modeling and other alternatives especially for the risk assessment of chemicals that are produced or imported in smaller quantities. In order to perform screening of new potential pollution points and to estimate their impact on environment, a QSAR/QSTR modeling procedure has become a method of resort over the years due to rapid industrialization and advancement in technology.