Computational techniques have long played a role in drug discovery by providing chemical and biological insight into complex problems. With the advent of experimental techniques that create vast amounts of data through discovery and into clinical trials, computation has been playing a larger role in interpreting and reacting to this data. The end goal of targeted treatments based on an individual phenotypic and genotypic profile drives further need for integrated techniques where multiple simulation and data interpretation methods can address medically relevant questions. This is currently the leading edge of innovation of not only developing, but delivering drugs to the market. Modeling and simulation pervade virtually all aspects of drug discovery, development, manufacturing and distribution.