QSAR Study on Toxic Effects of Reactive Organic Compounds

摘要

There is an essential need to use computation-based quantitative structure–activity relationship (QSAR) modeling for providing information about the physicochemical properties of chemicals and their environmental fate as well as their human health effects. The major aims of this paper is to explore ways to predict and to identify hazardous combinations of chemicals relevant to humans and the environment. So we use QSAR modeling for toxicological predictions determine the potential adverse effects of reactive organic compounds in risk assessment.