A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals.
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Sean Ekins, MSc, PhD, DSc has over 20 years of pharmaceutical and toxicology experience. He is the founder or co-founder of two companies and Adjunct Professor at three universities. He has been awarded 16 NIH grants as Principal Investigator. He has authored or co authored over 285 peer-reviewed papers and book chapters and edited five books with Wiley. His research is focused on collaborations to facilitate rare and neglected disease drug discovery.
Computational Toxicology: Risk Assessment for Chemicals offers a comprehensive analysis of applied approaches and strategies. The book begins with an introduction to toxicology and relevant technologies and then addresses the most advanced currently available molecular-modelling software and its role in toxicity testing.
The chapters feature in-depth looks at QSAR models, physicochemical drug properties, structure-based drug targeting, chemical mixture assessments, and environmental modelling. Additional coverage includes consumer product safety assessment and chemical defense, along with chapters on open source toxicology and big data.
An important resource for researchers and regulators involved in toxicology and risk assessment:
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