Chapter 5: Information, Informatics and Modeling in Predictive Toxicology

The varied nature and enormous volume of safety-related data makes assimilation, standardization and ultimate utilization a tremendous challenge. Many of the current data sources that can influence safety-related decisions in drug discovery and development derive from other areas of toxicology or are not directly focused on drug safety. These data sources are nevertheless extremely useful if used in the right context and if the user is aware of the limitations. Modeling of safety data is also possible under certain conditions and can be extremely useful in categorizing and prioritizing compounds for synthesis or for testing. This chapter outlines both the various sources of data that can be relevant to drug safety but also some of the modeling methods, pitfalls and areas of greatest interest and impact.