In Silico ADME Modeling

One of the key properties of a successful drug is a proper ADME profile (“Absorption – Distribution – Metabolism – Elimination”). Thus, predicting potential problems with absorption, distribution, metabolism, and elimination is an important part of the development process. Although there is a constant increase in the knowledge of the molecular processes involved in ADME—especially the important role of transport proteins—performance of in silico prediction tools still suffer from the limited amount of high-quality data available for model building. In this chapter, an overview of the recent developments in the field of ADME prediction and an outline of a set of “free to use” web resources in this area are provided.