Overview
- Includes cutting-edge methods and protocols
- Provides step-by-step detail essential for reproducible results
- Contains key notes and implementation advice from the experts
- Includes supplementary material: sn.pub/extras
Part of the book series: Methods in Molecular Biology (MIMB, volume 929)
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Table of contents (21 protocols)
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Front Matter
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Mathematical and Computational Modeling
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Front Matter
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Cheminformatics and Chemical Property Prediction
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Front Matter
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Pharmacokinetic and Pharmacodynamic Modeling
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Front Matter
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Keywords
About this book
Rapid advances in computer science, biology, chemistry, and other disciplines are enabling powerful new computational tools and models for toxicology and pharmacology. These computational tools hold tremendous promise for advancing science, from streamlining drug efficacy and safety testing, to increasing the efficiency and effectiveness of risk assessment for environmental chemicals. Computational Toxicology provides biomedical and quantitative scientists with essential background, context, examples, useful tips, and an overview of current developments in the field. Divided into four sections, Volume I covers a wide array of methodologies and topics. Opening with an introduction to the field of computational toxicology and its current and potential applications, the volume continues with ’best practices’ in mathematical and computational modeling, followed by chemoinformatics and the use of computational techniques and databases to predict chemical properties and toxicity, as well as an overview of molecular dynamics. The final section is a compilation of the key elements and main approaches used in pharmacokinetic and pharmacodynamic modeling, including the modeling of absorption, compartment and non-compartmental modeling, physiologically based pharmacokinetic modeling, interspecies extrapolation, and population effects. Written in the successful Methods in Molecular Biology™ series format where possible, chapters include introductions to their respective topics, lists of the materials and software tools used, methods, and notes on troubleshooting.
Authoritative and easily accessible, Computational Toxicology will allow motivated readers to participate in this exciting field and undertake a diversity of realistic problems of interest.
Editors and Affiliations
Bibliographic Information
Book Title: Computational Toxicology
Book Subtitle: Volume I
Editors: Brad Reisfeld, Arthur N. Mayeno
Series Title: Methods in Molecular Biology
DOI: https://doi.org/10.1007/978-1-62703-050-2
Publisher: Humana Totowa, NJ
eBook Packages: Springer Protocols
Copyright Information: Springer Science+Business Media, LLC 2013
Hardcover ISBN: 978-1-62703-049-6Published: 26 September 2012
Softcover ISBN: 978-1-4939-5897-9Published: 23 August 2016
eBook ISBN: 978-1-62703-050-2Published: 25 September 2012
Series ISSN: 1064-3745
Series E-ISSN: 1940-6029
Edition Number: 1
Number of Pages: XII, 612
Topics: Pharmacology/Toxicology, Computer Appl. in Life Sciences