Computational toxicology continues to develop as a key component of the field of toxicology, both in the prediction of potential side effects of new drugs and herbal medicines and the identification and assessment of hazards and risks of chemicals in the environment. This chapter highlights educational programs in computational toxicology for undergraduate students at the University of California, Berkeley and graduate students at the University of Michigan. Both programs are structured as inquiry-based science experiences for hands-on problem-solving using a variety of computational approaches. By the end of each semester, students have identified a relevant problem to solve and have completed a project worthy of presentation at local and national scientific meetings. Computational pharmacology at the University of California Berkeley is incorporated into a course where undergraduate students work in a problem-based learning structure where they take on real-world challenges similar to those tackled by practitioners in the field of drug discovery and development. The course gives students a “life-cycle” approach in understanding and experiencing the concepts of health care and therapeutic interventions. Examples of case studies and projects leading to presentations and publications are included in the chapter.