Mathematical modeling in cancer drug discovery

Mathematical models have the potential to help discover new therapeutic targets and treatment strategies. In this review, we discuss how the latest developments in mathematical modeling can provide useful context for the rational design, validation and prioritization of novel cancer drug targets and their combinations. We give special attention to two modeling approaches: network-based modeling and multiscale modeling, because they have begun to show promise in facilitating the process of effective cancer drug discovery. Both modeling approaches are integrated with a variety of experimental methods to ensure proper parameterization and to maximize their predictive value. We also discuss several challenges faced in modeling-based drug discovery.