Mathematical modeling can be used to study the pharmacokinetic and pharmacodynamic relationships of available anticancer agents to improve their treatment. Achieving the optimal balance between toxicity and efficacy has become an increasingly complex task as the number of drug-deliverable molecular targets and possible drug combinations continues to grow. As a result, standard empirical approaches for optimizing patient drug dosing and planning are currently of limited use. Mathematical modeling can greatly advance this practice by improving the rationalization of treatment strategies.