TOPOLOGICAL STATISTICS ON A LARGE STRUCTURAL FILE

被引:11
作者
PETITJEAN, M [1 ]
DUBOIS, JE [1 ]
机构
[1] UNIV PARIS 07,CNRS,INST TOPOL & DYNAM SYST,1 RUE GUY DE LA BROSSE,F-75221 PARIS 05,FRANCE
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1990年 / 30卷 / 03期
关键词
D O I
10.1021/ci00067a019
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Statistics based upon connection tables have been determined for a large structural file. Many distributions have unexpected local maxima and minima. Parity phenomena are observed in the distribution of hydrogen and carbon. An interpretation of even and odd distributions is proposed. Some of the compounds which represent topological extremes are shown. © 1990, American Chemical Society. All rights reserved.
引用
收藏
页码:332 / 343
页数:12
相关论文
共 7 条
[1]  
BERGE C, 1973, ISBN2040097554
[2]   DARC SYSTEM - NOTIONS OF DEFINED AND GENERIC SUBSTRUCTURES - FILIATION AND CODING OF FREL SUBSTRUCTURE (SS) CLASSES [J].
DUBOIS, JE ;
PANAYE, A ;
ATTIAS, R .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1987, 27 (02) :74-82
[3]  
EVERITT BS, 1981, ISBN0412224208
[4]   STATISTICAL STUDY OF A LARGE STRUCTURAL FILE BASED ON THE MENDELEEV TABLE [J].
PETITJEAN, M ;
DUBOIS, JE .
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1990, 55 (06) :1404-1415
[5]  
PETITJEAN M, UNPUB
[6]   THE CHEMICAL-ABSTRACTS-SERVICE CHEMICAL REGISTRY SYSTEM .6. SUBSTANCE-RELATED STATISTICS [J].
STOBAUGH, RE .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1980, 20 (02) :76-82
[7]   CHEMICAL-ABSTRACTS-SERVICE CHEMICAL REGISTRY SYSTEM .11. SUBSTANCE-RELATED STATISTICS - UPDATE AND ADDITIONS [J].
STOBAUGH, RE .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1988, 28 (04) :180-187