Dendrimers are synthetic macromolecules of either symmetric or asymmetric branching architecture that are relatively monodispersed nanomaterials and can accommodate therapeutics spanning small molecules to macromolecules. Unique to dendrimer delivery systems is the ease with which they can be adapted to be targetable, biodegradable, and possess low toxicity via established chemistries, making them ideal carrier systems for clinical translation that are favored by regulatory authorities. Charge-based electrostatic interaction, covalent conjugation, self-assembly, and amphiphilic properties of dendrimers enable them to perform as a multifunctional carrier system, which has been investigated for diagnostic applications that extend to the potential treatment of many complex pathologies. Further, advancements in computational pharmaceutics help to optimize dendrimer and create more robust drug delivery systems for endless opportunities in the field. This chapter accounts for the current knowledge on dendrimers as a diverse carrier system and the applicability of computational pharmaceutics on dendrimer technology design to advance their clinical translation and support their development in emerging fields of medicine.