ALGORITHM FOR THE PERCEPTION OF SYNTHETICALLY IMPORTANT RINGS

被引：69
作者：
GASTEIGER, J
JOCHUM, C
机构：
[1] Institut für Organische Chemie, Technische Universitat Miinchen
来源：
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1979年 / 19卷 / 01期
关键词：
D O I：
10.1021/ci60017a011
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An algorithm for finding the smallest set of smallest rings (SSSR) is presented. The algorithm is highly efficient and performs well even in those cases where other approaches fail. The SSSR offers particular advantages for chemical purposes. It is best to construct synthetically important rings from the SSSR. Considering all rings up to a certain size as synthetically important is cumbersome and inappropriate. © 1979, American Chemical Society. All rights reserved.
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页码：43 / 48
页数：6
相关论文
共 21 条
[1]  
BERSOHN M, 1973, J CHEM SOC PERK T 1, P1239, DOI 10.1039/p19730001239
[2]   ALGORITHM FOR MACHINE PERCEPTION OF SYNTHETICALLY SIGNIFICANT RINGS IN COMPLEX CYCLIC ORGANIC STRUCTURES [J].
COREY, EJ ;
PETERSSO.GA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (02) :460-&
[3]   COMPUTER-ASSISTED DESIGN OF COMPLEX ORGANIC SYNTHESES [J].
COREY, EJ ;
WIPKE, WT .
SCIENCE, 1969, 166 (3902) :178-&
[4]  
EATON PE, 1964, J AM CHEM SOC, V86, P963
[5]   PROCEDURE FOR RAPID RECOGNITION OF RINGS OF A MOLECULE [J].
ESACK, A .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1975, (12) :1120-1124
[6]  
FREREJACQUE M, 1939, B SOC CHIM FR, V6, P1008
[7]   A TOPOLOGICAL APPROACH TO PROBLEM OF RING STRUCTURES [J].
FUGMANN, R ;
DOLLING, U ;
NICKELSE.H .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1967, 6 (09) :723-&
[8]  
GASTEIGER J, 1978, TETRAHEDRON, V34, P2939, DOI 10.1016/0040-4020(78)88015-6
[9]  
Gasteiger J., 1978, TOP CURR CHEM, V74, P93, DOI DOI 10.1007/BFB0050147
[10]   A CYCLE GENERATION ALGORITHM FOR FINITE UNDIRECTED LINEAR GRAPHS [J].
GIBBS, NE .
JOURNAL OF THE ACM, 1969, 16 (04) :564-&
123