Structural modeling and topological characterization of three kinds of dendrimer networks

Dendrimers, also known as dendritic polymers, have various applications due to their unique properties, such as their monodisperse structure and their ability to be synthesized with precise control over their size, shape, and surface functionality. Dendrimers are used in drug delivery systems to improve drug solubility, bioavailability, and targeting. They can carry drugs to specific sites, such as cancer cells, and release them in a controlled manner, reducing side effects. Dendrimers can be used as gene delivery vehicles to deliver genetic material to cells in a controlled and targeted manner. Mathematical chemistry is useful to model chemical reactions and predict the behavior of chemical systems. It provides a quantitative understanding of chemical phenomena, which can aid in the design of new molecules and materials. It is used to develop molecular descriptors, which are mathematical representations of molecular structures that can be used to quantify the properties of molecules. These descriptors can be useful in structure-activity relationship studies to predict the biological activity of compounds. The topological descriptors are parameters of any molecular structure that gives a mathematical formula to model such molecular structures. In the current study, our concern is to calculate some useful topological indices for three kinds of dendrimer networks and derive closed mathematical formulas for them. The comparisons of these calculated topological indices are also investigated. Our obtained results will be helpful in investigating QSPRs/QSARs of such molecules in many fields of science, such as chemistry, physics and biochemistry. The dendrimer structure (left). From first (G0) to third (G3) generation, the dendrimer's increasing generations are shown schematically (right).