Abstract:
Topological indices provide a mathematical language for capturing molecular structure, symmetry, and predicting properties. Dendrimers are microscopic bilaterally symmetrical molecules with a well-defined homogeneous nanoparticles structure, often consisting of a symmetric center, inner shell, and outer shell. In this work, first we compute some degree-based topological indices of Porphyrin (DnPn),Poly (Propyl) Ether Imine(PETIM), Zinc porphyrin (DPZn), and Polyamidoamine (PAMAM) dendrimers. Then, we use multi-criteria decision making (MCDM) techniques to establish the weighted evaluation of dendrimer classes based on certain topological indices. For weighted analysis we correlate the properties of benzene derivatives with topological invariants. Finally, based on the multi-criteria decision making techniques namely TOPSIS, SAW and MOORA method, we have ranked the dendrimer structures based on their properties.
摘要:
拓扑指数为捕获分子结构提供了一种数学语言,对称性,并预测属性。树枝状聚合物是微观的双侧对称分子,具有明确的均质纳米颗粒结构,通常由一个对称中心组成,内壳,和外壳。在这项工作中,首先,我们计算卟啉(DnPn)的一些基于度的拓扑指数,聚丙醚亚胺(PETIM),锌卟啉(DPZn),和聚酰胺胺(PAMAM)树枝状聚合物。然后,我们使用多准则决策(MCDM)技术来建立基于某些拓扑指数的树枝状聚合物类的加权评估。对于加权分析,我们将苯衍生物的性质与拓扑不变量相关联。最后,基于多准则决策技术,即TOPSIS,SAW和MOORA方法,我们根据树枝状聚合物的性质对它们进行了排序。