Maximum topological distances based indices as molecular descriptors for QSPR - 2 - Application to aromatic hydrocarbons

被引：23
|
作者：
Castro, EA
Tueros, M
Toropov, AA
机构：
[1] Natl Univ La Plata, Fac Ciencias Exactas, Dept Quim, CEQUINOR, RA-1900 La Plata, Argentina
[2] Vostok Innovat Co, Tashkent 700122, Uzbekistan
来源：
COMPUTERS & CHEMISTRY | 2000年 / 24卷 / 05期
关键词：
detour matrix; topological distances; QSPR; aromatic hydrocarbons;
D O I：
10.1016/S0097-8485(99)00095-9
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Several standard topological indices based upon two different distance matrix definitions are employed to analyse their use to predict normal boiling points of a representative set of aromatic hydrocarbons. Results are quite satisfactory and they reveal the suitability of resorting to the maximum distance concept to compute the molecular indices, being in complete agreement with our previous findings on this issue. (C) 2000 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：571 / 576
页数：6
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