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Computational Toxicology: Risk Assessment for Chemicals

ISBN: 978-1-119-28256-3
416 pages
February 2018
Computational Toxicology: Risk Assessment for Chemicals (111928256X) cover image


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.

•    Provides a perspective of what is currently achievable with computational toxicology and a view to future developments
•    Helps readers overcome questions of data sources, curation, treatment, and how to model / interpret critical endpoints that support 21st century hazard assessment
•    Assembles cutting-edge concepts and leading authors into a unique and powerful single-source reference
•    Includes in-depth looks at QSAR models, physicochemical drug properties, structure-based drug targeting, chemical mixture assessments, and environmental modeling
•    Adds coverage about consumer product safety assessment and chemical defense along with chapters on open source toxicology and big data
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Author Information

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 15 NIH grants as Principal Investigator. He has authored or co-authored over 270 peer-reviewed papers and book chapters and edited four books with Wiley. His research is focused on collaborations to facilitate rare and neglected disease drug discovery.
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