Computational toxicology. Volume 930, Part 2 /

Computational toxicology. Volume 930, Part 2 /

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Bibliographic Details
Imprint:New York : Humana Press, 2013.
Description:1 online resource (xi, 648 pages) : illustrations.
Language:English
Series:Methods in molecular biology, 1940-6029 ; v. 930, pt. 2
Methods in molecular biology (Clifton, N.J.) ; volume 930, pt. 2.
Subject:
Toxicology -- Data processing.
Toxicology -- Data processing.
Format: E-Resource Book
URL for this record:http://pi.lib.uchicago.edu/1001/cat/bib/12398002
Hidden Bibliographic Details
Other authors / contributors:Reisfeld, Brad.
Mayeno, Arthur N., 1961-
ISBN:9781627030595
162703059X
9781627030588
1627030581
Notes:Includes bibliographical references and index.
Online resource; title from PDF title page (SpringerLink, viewed Oct. 31, 2012).
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.
Other form:Print version (v.1-v.2): Computational toxicology. New York : Humana Press, ©2012-2013 9781627030496 9781627030588
Standard no.:10.1007/978-1-62703-059-5
Table of Contents:
  • Methods for building QSARs / James Devillers
  • Accessing and using chemical databases / Nikolai Nikolov, Todor Pavlov, Jay R. Niemelä, and Ovanes Mekenyan
  • From QSAR to QSIIR: Searching for enhanced computational toxicology models / Hao Zhu
  • Mutagenicity, carcinogenicity, and other end points / Romualdo Benigni, Chiara Laura Battistelli, Cecilia Bossa, Mauro Colafranceschi, and Olga Tcheremenskaia
  • Classification models for safe drug molecules / A.K. Madan, Sanjay Bajaj, Harish Dureja
  • QSAR and metabolic assessment tools in the assessment of genotoxicity / Andrew P. Worth, Silvia Lapenna, Rositsa Serafimova
  • Gene expression networks / Reuben Thomas, Christopher J. Portier
  • Construction of cell type-specific logic models of signaling networks using CellNOpt / Melody K. Morris, Ioannis Melas, Julio Saez-Rodriguez
  • Regulatory networks / Gilles Bernot, Jean-Paul Comet, Christine Risso-de Feverney
  • Computational reconstruction of metabolic networks from KEGG / Tingting Zhou
  • Biomarkers / Harmony Larson, Elena Chan, Sucha Sudarsanam, and Dale E. Johnson
  • Biomonitoring-based environmental public health indicators / Andrey I. Egorov, Dafina Dalbokova, Michal Krzyzanowski
  • Modeling for regulatory purposes (risk and safety assessment) / Hisham El-Masri
  • Developmental toxicity prediction / Raghuraman Venkatapathy, Nina Ching Wang
  • Predictive computational toxicology to support drug safety assessment / Luis G. Valerio Jr.
  • Developing a practical toxicogenomics data analysis system utilizing open-source software / Takehiro Hirai, Naoki Kiyosawa
  • Systems toxicology from genes to organs / John Jack, John Wambaugh, Imran Shah
  • Agent-based models of cellular systems / Nicola Cannata, Flavio Corradini, Emanuela Merelli, and Luca Tesei
  • Linear algebra / Kenneth Kuttler
  • Ordinary differential equations Jiří Lebl
  • On the development and validation of QSAR models / Paola Gramatica
  • Principal components analysis / Detlef Groth, Stefanie Hartmann, Sebastian Klie, and Joachim Selbig
  • Partial least squares methods: Partial least squares correlation and partial least square regression / Hervé Abdi, Lynne J. Williams
  • Maximum likelihood / Shuying Yang, Daniela Angelis
  • Bayesian inference / Frederic Y. Bois.

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