Abstract: Traditional Chinese medicines (TCMs), a treasure inherited by the Chinese nation for thousands of years, are characterized by“multi-component and multi-target”, which makes the research on the material basis of their efficacy insufficient. Molecular networks can be used to connect structurally similar compounds of the same class through algorithms to form network diagrams. In recent years, some researchers have applied molecular networks to the basic research on the material basis of the efficacy of TCMs and the characterization of the chemical components of TCMs and their compound prescriptions. This paper reviews the current research status of molecular networks in the characterization of TCM components and their compound prescriptions, so as to provide the theoretical basis and directions for future research on the material basis of the efficacy of TCMs.