MOLECULAR QUANTUM SIMILARITY MEASURES AND N-DIMENSIONAL REPRESENTATION OF QUANTUM OBJECTS .2. PRACTICAL APPLICATIONS

被引：63

作者：

CARBO, R

CALABUIG, B

机构：

[1] Laboratori de Química Computacional, Estudi General de Girona, Plaça Hospital 6., Girona

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1992年 / 42卷 / 06期

关键词：

D O I：

10.1002/qua.560420608

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Newly developed classification and graphical representation techniques are discussed in order to visualize quantum similarity computational results. Some examples of molecular quantum similarity applications involving the fields of (a) structure-property relationships, (b) structure-activity relationships, (c) mo taxonomy, and (d) conformer taxonomy are presented.

引用

页码：1695 / 1709

页数：15