Toxicity: 77 Must-Know Predictions of Organic Compounds: Including Ionic Liquids

Due  to the advances of various methods for the prediction of toxicity of  organic compounds and ionic liquids (ILs), it is necessary to review  these methods for scientists and students. It is essential to compare  the advantages and shortcomings of these methods. Since many organic  compounds and ILs are synthesized each year, this book introduces  suitable models for the assessment of their toxicities. 

This  book reviews the best predictive methods for the prediction of toxicity  of organic compounds and ILs, which were derived by in vitro or in vivo experiments. Different available quantitative structure-toxicity  relationship (QSTR) models based on various descriptors have been  discussed to predict toxicity parameters such as LD50 (50% lethal dose), EC50 (the concentration of the desired IL that produces mortality of 50 percent of the bacterial population) and log(IGC50-1) (logarithm of 50% growth inhibitory concentration of T. pyriformis)  of various classes of organic compounds and ILs. The reliability of  these methods is compared and discussed. Each chapter contains some  complimentary problems with their answers, which can improve the  experience of students and researchers. 

The  introduced subjects are suitable for advanced students in chemistry,  biochemistry, medicinal chemistry, and chemical engineering.