Molecular Similarity Based on Super-Ball Algorithm

作     者：GUO Ming and LIU Wen-jie (Department of Basic Courses, Tarim University of Agricultural Reclamation, Alar, Xinjiang 843300, P. R. China) 

作者机构：Tarim Univ Agr Reclamat Dept Basic Courses Alar 843300 Xinjiang Peoples R China 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究（英文版）)

年 卷 期：2001年第17卷第2期

页      面：212-218页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

基　　金：the National Natural Science Foundation of China(Grant No. 29767001) 

主　　题：Molecular similarity Super-ball algorithm Calculation 

摘      要：The molecular similarity of 139 organic compounds was calculated by the topologic index method, the flexible super-ball algorithm was used to scan similar molecules and structures. The results show that the properties of organic compounds estimated from this method are reliable.