Overview of data science and computational modeling concepts in pharmaceutical technology

This chapter provides an overview of mathematical modeling approaches, including the applications of mechanistic, empirical, and hybrid models in the pharmaceutical technology field. Techniques such as discrete/finite element method, computational fluid dynamics, molecular dynamics, and physiologically based pharmacokinetic modeling are briefly introduced. Novel computational platforms are presented, aiming to elaborate on the modeling and simulations in the quality-by-design and quality-by-control context. Data science as a concept is also explained, with the introduction of modern open-source programming languages, such as Python, with illustrative examples.