Human health risk assessment is “the process to estimate the nature and probability of adverse health effects in humans who may be exposed to chemicals in contaminated environmental media, now or in the future.” Currently, most data required for human risk assessment are derived from toxicological studies conducted in laboratory animals. The “Toxicology in the 21st Century” initiative expands the toxicity testing tools to include the development of alternative toxicity testing methods that examine pathways of toxicity (on a large scale) and the employment of dose-response and extrapolation modeling tools. While the latter methodology is in its infancy, several methodologies for dose-response and extrapolation modeling are more mature. Over the last decade, physiologically based pharmacokinetic (PBPK) modeling has gained acceptance as a computational tool for use in public health assessments. In this chapter, we present examples of quantitative structure-activity relationship (QSAR) models, physiologically based pharmacokinetic (PBPK) models, and biologically based dose response (BBDR) models that have been developed for use in public health assessments and advancing knowledge gained through in silico examinations of biological systems.
This book is authored by leading international investigators who have real-world experience in relating computational toxicology methods to risk assessment.
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 ...
This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making.
The book begins with an introduction to toxicology and relevant technologies and then addresses the most advanced currently available molecular-modelling software and its role in toxicity testing.
The focus of the chapter is on the development and application of computational toxicology methods to human risk assessment.
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 ...
Systems toxicology approaches are also introduced. The volume closes with primers and background on some of the key mathematical and statistical methods covered earlier, as well as a list of other resources.
This chapter describes some methods in computational toxicology and how to integrate experimental data with computational assessments for supporting risk assessment.
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 ...
Humans are exposed to chemicals through voluntary and involuntary actions; to natural and synthetic chemicals all day, every day.