RING PERCEPTION - A NEW ALGORITHM FOR DIRECTLY FINDING THE SMALLEST SET OF SMALLEST RINGS FROM A CONNECTION TABLE

被引:23
作者
FAN, BT [1 ]
PANAYE, A [1 ]
DOUCET, JP [1 ]
BARBU, A [1 ]
机构
[1] UNIV PARIS 07,CNRS,URA 34,INST TOPOL & DYNAM SYST,F-75221 PARIS 05,FRANCE
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1993年 / 33卷 / 05期
关键词
D O I
10.1021/ci00015a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A new simple algorithm for ring perception is perception is reported. It directly finds the smallest set of smallest rings (SSSR) from a minimum set of data, a connection table without any classification of rings and accessory extraction procedure. Its application for some complex ring systems is presented.
引用
收藏
页码:657 / 662
页数:6
相关论文
共 18 条
[1]   RING PERCEPTION IN ORGANIC STRUCTURES - A NEW ALGORITHM FOR FINDING SSSR [J].
BAUMER, L ;
SALA, G ;
SELLO, G .
COMPUTERS & CHEMISTRY, 1991, 15 (04) :293-299
[2]  
BERSOHN M, 1973, J CHEM SOC PERK T 1, P1239, DOI 10.1039/p19730001239
[3]   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-&
[4]   TECHNIQUES FOR PERCEPTION BY A COMPUTER OF SYNTHETICALLY SIGNIFICANT STRUCTURAL FEATURES IN COMPLEX MOLECULES [J].
COREY, EJ ;
CRAMER, RD ;
HOWE, WJ ;
WIPKE, WT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (02) :431-&
[5]   COMPUTER-STORAGE AND RETRIEVAL OF GENERIC CHEMICAL STRUCTURES IN PATENTS .9. AN ALGORITHM TO FIND THE EXTENDED SET OF SMALLEST RINGS IN STRUCTURALLY EXPLICIT GENERICS [J].
DOWNS, GM ;
GILLET, VJ ;
HOLLIDAY, JD ;
LYNCH, MF .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1989, 29 (03) :207-214
[6]   THEORETICAL ASPECTS OF RING PERCEPTION AND DEVELOPMENT OF THE EXTENDED SET OF SMALLEST RINGS CONCEPT [J].
DOWNS, GM ;
GILLET, VJ ;
HOLLIDAY, JD ;
LYNCH, MF .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1989, 29 (03) :187-206
[7]   REVIEW OF RING PERCEPTION ALGORITHMS FOR CHEMICAL GRAPHS [J].
DOWNS, GM ;
GILLET, VJ ;
HOLLIDAY, JD ;
LYNCH, MF .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1989, 29 (03) :172-187
[8]   PROCEDURE FOR RAPID RECOGNITION OF RINGS OF A MOLECULE [J].
ESACK, A .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1975, (12) :1120-1124
[9]   A NEW ALGORITHM FOR SELECTION OF SYNTHETICALLY IMPORTANT RINGS - THE ESSENTIAL SET OF ESSENTIAL RINGS FOR ORGANIC STRUCTURES [J].
FUJITA, S .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1988, 28 (02) :78-82
[10]   LOGICAL PERCEPTION OF RING-OPENING, RING-CLOSURE, AND REARRANGEMENT REACTIONS BASED ON IMAGINARY TRANSITION STRUCTURES - SELECTION OF THE ESSENTIAL SET OF ESSENTIAL RINGS (ESER) [J].
FUJITA, S .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1988, 28 (01) :1-9