Computational Toxicology [E-Book]: Volume I / edited by Brad Reisfeld, Arthur N. Mayeno.
Mayeno, Arthur N.
Reisfeld, Brad.
Totowa, NJ : Humana Press, 2013
XI, 613 p. 157 illus., 75 illus. in color. digital.
Methods in molecular biology, methods and protocols ; 929
Full Text
Table of Contents:
  • What is Computational Toxicology?
  • Computational Toxicology – Application in Environmental Chemicals
  • Role of Computational Methods in Pharmaceutical Sciences
  • Best Practices in Mathematical Modeling
  • Tools and Techniques
  • Prediction of Physicochemical Properties
  • Informing Mechanistic Toxicology with Computational Molecular Models
  • Chemical Structure Representations and Applications in Computational Toxicity
  • Accessing and Using Chemical Property Databases
  • Accessing, Using and Creating Chemical Property Databases for Computational Toxicology Modeling
  • Molecular Dynamics
  • Introduction to Pharmacokinetics in Clinical Toxicology.-Modeling of Absorption
  • Prediction of Pharmacokinetic Parameters
  • Ligand – And Structure-Based Pregnane X Receptor Models
  • Non-Compartmental Analysis
  • Compartmental Modeling in the Analysis of Biological Systems
  • Physicologically Based Pharmacokinetic/Toxicokinetic Modeling
  • Interspecies Extrapolation
  • Population Effects and Variability
  • Mechanism-Based Pharmacodynamic Modeling..