Molecular Similarity Based on Super-Ball Algorithm

高等学校化学研究 ›› 2001, Vol. 17 ›› Issue (2): 212-218.

Molecular Similarity Based on Super-Ball Algorithm

GUO Ming, LIU Wen-jie

Department of Basic Courses, Tarim University of Agricultural Reclamation, Alar, Xinjiang 843300, P. R. China

收稿日期:2000-04-29 出版日期:2001-04-24 发布日期:2011-08-04
基金资助:
Molecular similarity|Super-ball algorithm|Calculation

Molecular Similarity Based on Super-Ball Algorithm

GUO Ming, LIU Wen-jie

Department of Basic Courses, Tarim University of Agricultural Reclamation, Alar, Xinjiang 843300, P. R. China

Received:2000-04-29 Online:2001-04-24 Published:2011-08-04
Supported by:
Supported by the National Natural Science Foundation of China(Grant No.29767001).

摘要/Abstract

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.

关键词: Molecular similarity, Super-ball algorithm, Calculation

Abstract: 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.

Key words: Molecular similarity, Super-ball algorithm, Calculation

GUO Ming, LIU Wen-jie. Molecular Similarity Based on Super-Ball Algorithm[J]. 高等学校化学研究, 2001, 17(2): 212-218.

GUO Ming, LIU Wen-jie. Molecular Similarity Based on Super-Ball Algorithm[J]. Chemical Research in Chinese Universities, 2001, 17(2): 212-218.

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Molecular Similarity Based on Super-Ball Algorithm

Molecular Similarity Based on Super-Ball Algorithm

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