Topological Descriptors的意思|示意

A set of topological indices was used as molecular structure descriptors to describe the molecular structure characteristics of fatty alcohols.

根据脂肪醇的分子结构特征，提出一组拓扑指数作为表征脂肪醇分子结构的分子描述符。

Molecular descriptors, which describe the topological, electronic, and geometric features of a molecule, have been routinely used in computational prediction of drug properties.

分子描述符描述化合物的拓扑、电子和几何特征，在预测药物性质中广泛应用。

The structural descriptors utilized are the topological connectivity indexes.

结构描述是利用拓扑连接索引。

The second part is to describe the topological structures to get different descriptors, which is described in the fourth to seventh chapters.

第二部分是对分子拓扑结构进行描述而得到了不同的描述子(第四章一第七章)。

In chapter 2 and 3 of the thesis, quantum, topological, and hydrophobic descriptors were combined to study the quantitative structure - activity relationship of 88 phenylalkylamines.

本论文第二、第三章利用量子化学参数结合分子拓扑指数以及疏水性参数等研究了88个苯基烷胺类致幻剂的定量构效关系。