In Silico Toxicology—An Introduction

This chapter provides a brief introduction to the term in silico toxicology and the various methods that are available to predict toxicity. The current status and future potential role of in silico techniques are discussed, indicating the key factors that have defined the current state-of–the-art. These factors are diverse and include the need to ensure the safety of chemicals; current legislation; commercial pressures; increased computational power; and public opinion against animal testing. Overall the book provides guidance on how to develop and use in silico models. The topics to be discussed throughout the book are introduced here including: obtaining and assessing data, characterising chemicals in terms of their physico-chemical and structural properties; building models to account for toxicity and taking into consideration any modulating factors (such as external and internal exposure). potential uses for the models