研究动态
Articles below are published ahead of final publication in an issue. Please cite articles in the following format: authors, (year), title, journal, DOI.

用拓扑指数研究抗癌药物的分子结构。

Investigation molecular structure of anticancer drug with topological indices.

发表日期:2024 Jul 05
作者: Lei Huang, Akbar Jahanbani, Xuewu Zuo
来源: COMPUTERS IN BIOLOGY AND MEDICINE

摘要:

检查化合物结构的物理化学特性的一个关键考虑因素是拓扑指数。此外,拓扑索引将通过将每个分子的结构转换为实数来描述被测分子。在本文中,我们计算抗癌药物的拓扑指数[公式:见正文]和[公式:见正文],其中da是图G中顶点a的度数,0≠α,βεR。通过参数α和β的选择,获得了拓扑指标的一些新/旧结果。这项研究的结果可能有助于化学家识别与其相关的化学、物理和生物活性。版权所有 © 2024 Elsevier Ltd。保留所有权利。
A crucial consideration in examining the physicochemical characteristics of chemical compound structures is topological indices. In addition, topological indices will serve as a description of a molecule under test by translating each molecule's structure into a real number. In this paper, we calculate topological indices [Formula: see text] and [Formula: see text] for anticancer drugs, where da is the degree of vertex a in graph G and 0≠α,β∈R. By choosing of parameters α and β, some of new/old results for topological indices are obtained. The results of this study may assist to chemists in identifying the chemical, physical and biological activity associated with them.Copyright © 2024 Elsevier Ltd. All rights reserved.