Chemical Toxicity Prediction

Category Formation and Read-Across

Mark Cronin, Judith Madden, Steven Enoch, David Roberts

• Publisher: Royal Society of Chemistry
• Year: 2013
• Print ISBN: 9781849733847
• eBook ISBN: 9781849734400
• Edition: 1
• Topic: Biological Sciences
• Subtopic: Biochemistry
• Index: Biological Sciences

The aim of this book is to provide the scientific background to using the formation of chemical categories, or groups, of molecules to allow for read-across i.e. the prediction of toxicity from chemical structure. It covers the scientific basis for this approach to toxicity prediction including the methods to group compounds (structural analogues and / or similarity, mechanism of action) and the tools to achieve this. The approaches to perform read-across within a chemical category are also described.

Chemical Toxicity Prediction provides concise practical guidance for those wishing to apply these methods (in risk / hazard assessment) and will be illustrated with case studies. This is the first book that addresses the concept of category formation and read-across for toxicity prediction specifically. This topic has really taken off in the past few years due to concerns over dealing with the REACH legislation and also due to the availability of the OECD (Q)SAR Toolbox. Much (lengthy and complex) guidance is available on category formation e.g. from the OECD and, to a lesser extent, the European Chemicals Agency but there is no one single source of information that covers all techniques in a concise user-friendly format.

Table of contents

• Chemical Toxicity Prediction
• Contents
• Chapter 1 An Introduction to Chemical Grouping, Categories and Read-Across to Predict Toxicity
• Chapter 2 Approaches for Grouping Chemicals into Categories
• Chapter 3 Informing Chemical Categories through the Development of Adverse Outcome Pathways
• Chapter 4 Tools for Grouping Chemicals and Forming Categories
• Chapter 5 Sources of Chemical Information, Toxicity Data and Assessment of Their Quality
• Chapter 6 Category Formation Case Studies
• Chapter 7 Evaluation of Categories and Read-Across for Toxicity Prediction Allowing for Regulatory Acceptance
• Chapter 8 The State of the Art and Future Directions of Category Formation and Read-Across for Toxicity Prediction
• Subject Index