Nanotechnology Now

Our NanoNews Digest Sponsors

Heifer International

Wikipedia Affiliate Button

Home > Press > Research and Markets: Computational Toxicology: Discover Risk Assessments for Pharmaceutical and Environmental Chemicals and the Latest Molecular Modeling Approaches

Research and Markets ( has announced the addition of John Wiley and Sons Ltd's new book "Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals" to their offering.

Research and Markets: Computational Toxicology: Discover Risk Assessments for Pharmaceutical and Environmental Chemicals and the Latest Molecular Modeling Approaches

Dublin, Ireland | Posted on August 30th, 2011

Currently, many companies and organizations are evaluating new predictive tools to improve human hazard assessment, (e.g. drug toxicity, P450 metabolism) for applications in both pharmaceutical development and environmental analysis. The interaction of molecules can be predicted through computer-based tools using X-ray crystal structures, homology, receptor, pharmacophore, and QSAR models of human enzymes as well as transporters, nuclear receptors, and ion channels. In silico modeling for toxicology may therefore provide effective pre-screening for chemicals in pharmaceutical discovery and the environment.

A Comprehensive Analysis of State-Of-The-Art Molecular Modeling Approaches and Strategies Applied to Risk Assessment for Pharmaceutical and Environmental Chemicals

This unique volume describes how the interaction of molecules with toxicologically relevant targets can be predicted using computer-based tools utilizing X-ray crystal structures or homology, receptor, pharmacophore, and quantitative structure activity relationship (QSAR) models of human proteins.

It covers the in vitro models used, newer technologies, and regulatory aspects. The book offers a complete systems perspective to risk assessment prediction, discussing experimental and computational approaches in detail with:

An introduction to toxicology methods and an explanation of computational methods
In-depth reviews of QSAR methods applied to enzymes, transporters, nuclear receptors, and ion channels
Sections on applying computers to toxicology assessment in the pharmaceutical industry and in the environmental arena
Chapters written by leading international experts
Figures that illustrate computational models and references for further information

This is a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences as well as researchers involved in ADMET, drug discovery, and technology and software development.

Key Topics Covered Include the Following:

In Vitro Toxicology: Bringing The In Silico and In Vivo World Closer (Jinghai J. Xu).
Physiologically-Based Pharmacokinetic/Pharmacodynamic Modeling (Brad Reisfeld, Arthur N. Mayeno, Michael A. Lyons and Raymond S. H. Yang).
Toxicoinformatics: An Introduction (William J. Welsh, Weida Tong and Panos G. Georgopoulos).
Computational Approaches for Assessment of Toxicity - A Historical Perspective and Current Status (Vijay K Gombar, Brian E Mattioni, Craig Zwickl and Thom Deahl).
Current QSAR Techniques for Toxicology (Yu Zong Chen, Chun Wei Yap and Hu Li).
The Prediction of Physicochemical Properties (Igor V Tetko).
Applications of QSAR to Enzymes Involved In Toxicology (Sean Ekins).
QSAR-Studies on Drug Transporters Involved In Toxicology (Gerhard F. Ecker and Peter Chiba).
The Toxicity and Risk of Chemical Mixtures (John C. Lipscomb, Jason C. Lambert and Moiz Mumtaz).
Environmental and Ecological Toxicology - Computational Risk Assessment (Emilio Benfenati, Giovanna Azimonti, Domenica Auteri and Marco Lodi).
Application of QSARs In Aquatic Toxicology (James Devillers).
Novel Cell Culture Systems - Micro And Nanotechnology For Toxicology (Mike Shuler and Hui Xu).
Computational Tools for Regulatory Needs (Arianna Bassan and Andrew P. Wo).

About the Author:

Sean Ekins, MSc, PhD, DSc, is Senior Vice President of Computational Biology, Arnold Consultancy and Technologies, and an Adjunct Associate Professor in the Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy. Dr. Ekins has authored more than eighty peer-reviewed papers and book chapters as well as several patents.


For more information, please click here

Research and Markets
Laura Wood, Senior Manager,

U.S. Fax: 646-607-1907
Fax (outside U.S.): +353-1-481-1716

Copyright © Business Wire

If you have a comment, please Contact us.

Issuers of news releases, not 7th Wave, Inc. or Nanotechnology Now, are solely responsible for the accuracy of the content.

Delicious Digg Newsvine Google Yahoo Reddit Magnoliacom Furl Facebook

Related News Press

News and information

GLOBALFOUNDRIES and Soitec Enter Into Long-term Supply Agreement on FD-SOI Wafers: Strategic milestone to help guarantee a secure, high-volume supply of FD-SOI technology September 20th, 2017

GLOBALFOUNDRIES Announces Availability of mmWave and RF/Analog on Leading FDX™ FD-SOI Technology Platform: Technology solution delivers ‘connected intelligence’ to next generation high-volume wireless and IoT applications with lower power and significantly reduced cost September 20th, 2017

GLOBALFOUNDRIES Announces Availability of Embedded MRAM on Leading 22FDX® FD-SOI Platform: Advanced embedded non-volatile memory solution delivers ‘connected intelligence’ by expanding SoC capabilities on the 22nm process node September 20th, 2017

Copper catalyst yields high efficiency CO2-to-fuels conversion: Berkeley Lab scientists discover critical role of nanoparticle transformation September 20th, 2017


GLOBALFOUNDRIES Delivers 8SW RF SOI Technology for Next-Generation Mobile and 5G Applications: Advanced 8SW 300mm SOI technology enables cost-effective, high-performance RF front-end modules for 4G LTE mobile and sub-6GHz 5G applications September 20th, 2017

GLOBALFOUNDRIES Unveils Vision and Roadmap for Next-Generation 5G Applications: Technology platforms are uniquely positioned to enable a new era of ‘connected intelligence’ with the transition to 5G September 20th, 2017

GLOBALFOUNDRIES Delivers Custom 14nm FinFET Technology for IBM Systems: Jointly developed 14HP process is world’s only technology that leverages both FinFET and SOI September 20th, 2017

GLOBALFOUNDRIES Introduces New 12nm FinFET Technology for High-Performance Applications September 20th, 2017

Interviews/Book Reviews/Essays/Reports/Podcasts/Journals/White papers

Copper catalyst yields high efficiency CO2-to-fuels conversion: Berkeley Lab scientists discover critical role of nanoparticle transformation September 20th, 2017

Solar-to-fuel system recycles CO2 to make ethanol and ethylene: Berkeley Lab advance is first demonstration of efficient, light-powered production of fuel via artificial photosynthesis September 19th, 2017

A new approach to ultrafast light pulses: Unusual fluorescent materials could be used for rapid light-based communications systems September 19th, 2017

New quantum phenomena in graphene superlattices September 18th, 2017

Safety-Nanoparticles/Risk management

Do titanium dioxide particles from orthopedic implants disrupt bone repair? September 16th, 2017

Tests show no nanotubes released during utilisation of nanoaugmented materials June 9th, 2017

NanoMONITOR shares its latest developments concerning the NanoMONITOR Software and the Monitoring stations April 21st, 2017

NIST updates 'sweet' 1950s separation method to clean nanoparticles from organisms January 27th, 2017

The latest news from around the world, FREE

  Premium Products
Only the news you want to read!
 Learn More
University Technology Transfer & Patents
 Learn More
Full-service, expert consulting
 Learn More

Nanotechnology Now Featured Books


The Hunger Project