Computational Toxicology for Drug Safety and a Sustainable Environment

Computational Toxicology for Drug Safety and a Sustainable Environment is a primer on computational techniques in environmental toxicology for scholars. The book presents 9 in-depth chapters authored by expert academicians and scientists aimed to give readers an understanding of how computational models, software and algorithms are being used to predict toxicological profiles of chemical compounds. The book also aims to help academics view toxicological assessment from the lens of sustainability by providing an overview of the recent developments in environmentally-friendly practices. The chapters review the strengths and weaknesses of the existing methodologies, and cover new developments in computational tools to explain how researchers aim to get accurate results. Each chapter features a simple introduction and list of references to benefit a broad range of academic readers. List of topics:1. Applications of computational toxicology in pharmaceuticals, environmental andindustrial practices2. Verification, validation and sensitivity studies of computational models used in toxicologyassessment3. Computational toxicological approaches for drug profiling and development of onlineclinical repositories4. How to neutralize chemicals that kill environment and humans: an application ofcomputational toxicology5. Adverse environmental impact of pharmaceutical waste and its computational assessment6. Computational aspects of organochlorine compounds: DFT study and molecular dockingcalculations7. In-silico studies of anisole and glyoxylic acid derivatives8. Computational toxicology studies of chemical compounds released from firecrackers9. Computational nanotoxicology and its applications.

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