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ABC指数与几类点度拓扑指数的关系
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作者 甘露 《湖北师范学院学报(自然科学版)》 2016年第4期14-17,共4页
原子键连通性指数(ABC简称指数)是Eatrada等人在Randic指数的基础上提出的一类拓扑指数。该指数已被证实为研究烷烃的稳定性及环烷烃的应变能等提供了很好的模型。给出了ABC指数和几类点拓扑指数的关系。
关键词 ABC指数 点拓扑指数 X指数
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基于神经网络构建取代苯类化合物QSAR模型 被引量:5
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作者 高大文 王鹏 《哈尔滨工业大学学报》 EI CAS CSCD 北大核心 2005年第11期1496-1498,1518,共4页
在取代苯类化合物定量构效关系(QSAR)模型构建中,采用人工神经网络技术对所选点价自相关拓扑指数结构参数进行筛选,并对筛选过程中不同数量的输入结构参数所构建的ANN-QSAR模型的质量和预测能力进行了比较.研究结果显示,应用人工神经网... 在取代苯类化合物定量构效关系(QSAR)模型构建中,采用人工神经网络技术对所选点价自相关拓扑指数结构参数进行筛选,并对筛选过程中不同数量的输入结构参数所构建的ANN-QSAR模型的质量和预测能力进行了比较.研究结果显示,应用人工神经网络自身非线性特点对QSAR研究中结构参数筛选是可行的,使最初QSAR模型中24个结构参数减少为5个,而模型的质量和预测能力没有受到影响.该研究成果不仅大大加快了网络模型的运算速度,而且为深入探讨取代苯类化合物生物致毒机理奠定了基础. 展开更多
关键词 取代苯类化合物 QSAR 人工神经网络 价自相关拓扑指数
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BOUNDS ON COINCIDENCE INDICES ON NON-ORIENTABLE SURFACES
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作者 D. VENDRúSCOLO 《Chinese Annals of Mathematics,Series B》 SCIE CSCD 2005年第2期315-322,共8页
This paper presents some results about bounds for coincidence indices of Nielsen coincidence classes for maps between nonorientable surfaces. Denoting by Kn the nonorientable surface constructed by a connected sum of ... This paper presents some results about bounds for coincidence indices of Nielsen coincidence classes for maps between nonorientable surfaces. Denoting by Kn the nonorientable surface constructed by a connected sum of n torus with a Klein bottle, the author proves: (i) for pairs of maps between two Klein bottles or for pairs of maps from a Klein bottle to a surface Kn the coincidence class index is bounded. (ii) for pairs of maps from Kn to the Klein bottle the coincidence class index is unbounded. Other boundedness results are given for more technical conditions, including one for self maps. 展开更多
关键词 Nielsen theory Coincidence theory Coincidence index SURFACES
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On Wiener and terminal Wiener index of graphs
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作者 J. Baskar Babujee J. Senbagamalar 《International Journal of Biomathematics》 2015年第5期251-261,共11页
The Wiener index is a topological index defined as the sum of distances between all pairs of vertices in a graph. It was introduced as a structural descriptor for molecular graphs of alkanes, which are trees with vert... The Wiener index is a topological index defined as the sum of distances between all pairs of vertices in a graph. It was introduced as a structural descriptor for molecular graphs of alkanes, which are trees with vertex degrees of four at the most. The terminal Wiener index is defined as the sum of distances between all pairs of pendent vertices in a graph. In this paper we investigate Wiener and terminal Wiener for graphs derived from certain operations. 展开更多
关键词 DISTANCE molecular graph pendent vertex Wiener index.
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