| Description |
1 online resource (xi, 613 pages) : illustrations |
| Series |
Methods in molecular biology, 1940-6029 ; v. 929, pt. 1 |
|
Methods in molecular biology (Clifton, N.J.) ; volume 929, pt. 1
|
| Contents |
What is computational toxicology? / Brad Reisfeld and Arthur N. Mayeno -- Computational toxicology : application in environmental chemicals / Yu-Mei Tan, Rory Conolly, Daniel T. Chang, Rogelio Tornero-Velez, Michael R. Goldsmith, Shane D. Peterson, and Curtis C. Dary -- Role of computational methods in pharmaceutical sciences / Sandhya Kortagere, Markus Lill, and John Kerrigan -- Best practices in mathematical modeling / Lisette G. de Pillis and Ami E. Radunskaya -- Tools and techniques / Arthur N. Mayeno and Brad Reisfeld -- Prediction of physicochemical properties / John C. Dearden -- Informing mechanistic toxicology with computational molecular models / Michael R. Goldsmith, Shane D. Peterson, Daniel T. Chang, Thomas R. Transue, Rogelio Tornero-Velez, Yu-Mei Tan, and Curtis C. Dary -- Chemical structure representations and applications in computational toxicity / Muthukumarasamy Karthikeyan and Renu Vyas -- Accessing and using chemical property databases / Janna Hastings, Zara Josephs, and Christoph Steinbeck -- Accessing, using, and creating chemical property databases for computational toxicology modeling / Antony J. Williams, Sean Ekins, Ola Spjuth, and Egon L. Willighagen -- Molecular dynamics / Xiaolin Cheng and Ivaylo Ivanov -- Introduction to pharmacokinetics in clinical toxicology / Pavan Vajjah, Geoffrey K. Isbister, and Stephen B. Duffull -- Modeling of Aasorption / Walter S. Woltosz, Michael B. Bolger, and Viera Lukacova -- Prediction of pharmacokinetic parameters / A.K. Madan and Harish Dureja -- Ligand- and structure-based pregnane X receptor models / Sandhya Kortagere, Matthew D. Krasowski, and Sean Ekins -- Non-compartmental analysis / Johan Gabrielsson and Daniel Weiner -- Compartmental modeling in the analysis of biological systems / James B. Bassingthwaighte, Erik Butterworth, Bartholomew Jardine, and Gary M. Raymond -- Physiologically based pharmacokinetic/toxicokinetic modeling / Jerry L. Campbell, Rebecca A. Clewell, P. Robinan Gentry, Melvin E. Andersen, and Harvey J. Clewell III -- Interspecies extrapolation / Elaina M. Kenyon -- Population effects and variability / Jean Lou Dorne, Billy Amzal, Frédéric Bois, Amélie Crépet, Jessica Tressou, and Philippe Verger -- Mechanism-based pharmacodynamic modeling / Melanie A. Felmlee, Marilyn E. Morris, and Donald E. Mager |
| Summary |
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 |
| Analysis |
Medicine |
|
Toxicology |
|
Biology -- Data processing |
|
Biomedicine |
|
Pharmacology/Toxicology |
|
Computer Appl. in Life Sciences |
|
farmacologie |
|
pharmacology |
|
toxicologie |
|
biomedische wetenschappen |
|
computertechnieken |
|
computer techniques |
|
levenswetenschappen |
|
life sciences |
|
Medicine (General) |
|
Geneeskunde (algemeen) |
| Bibliography |
Includes bibliographical references and index |
| Subject |
Toxicology -- Data processing
|
|
Toxicology.
|
|
Toxicology
|
|
Computational Biology
|
|
toxicology.
|
|
Toxicology
|
|
Toxicology -- Data processing
|
| Genre/Form |
Laboratory manuals
|
|
Laboratory manuals.
|
|
Manuels de laboratoire.
|
| Form |
Electronic book
|
| Author |
Reisfeld, Brad.
|
|
Mayeno, Arthur N., 1961-
|
| ISBN |
9781627030502 |
|
1627030506 |
|
