Fast algorithm for ring perception

An algorithm for finding rings in graphs is presented. The algorithm is based on the Welch‐Assembly‐Gibbs algorithm of Wipke and Dyott but using the homeomorphically reduced pruned graph (the extension of HRG of Balaban et al). The algorithm is able to generate both the fundamental set of rings and all possible rings in a given graph. The time and storage needs are superior to both underlying algorithms. The CPU times of the old and new algorithms are given.

[1]  Seymour B. Elk Effect of taxonomy class and spanning set on identifying and counting rings in a compound , 1985, J. Chem. Inf. Comput. Sci..

[2]  BURGHARDT SCHMIDT,et al.  A Fortran IV Program for Finding the Smallest Set of Smallest Rings of a Graph , 1978, J. Chem. Inf. Comput. Sci..

[3]  A. Balaban,et al.  Computer program for finding all possible cycles in graphs , 1985, Journal of computational chemistry.

[4]  Norman E. Gibbs,et al.  A Cycle Generation Algorithm for Finite Undirected Linear Graphs , 1969, JACM.

[5]  Johann Gasteiger,et al.  An Algorithm for the Perception of Synthetically Important Rings , 1979, J. Chem. Inf. Comput. Sci..

[6]  W. Todd Wipke,et al.  Use of Ring Assemblies in Ring Perception Algorithm , 1975, J. Chem. Inf. Comput. Sci..

[7]  John T. Welch,et al.  A Mechanical Analysis of the Cyclic Structure of Undirected Linear Graphs , 1966, J. ACM.

[8]  Robin Wilson,et al.  Applications of graph theory , 1979 .

[9]  E. J. Corey,et al.  Algorithm for machine perception of synthetically significant rings in complex cyclic organic structures , 1972 .

[10]  William L. Jorgensen,et al.  Computer-assisted mechanistic evaluation of organic reactions. 2. Perception of rings, aromaticity, and tautomers , 1981, J. Chem. Inf. Comput. Sci..

[11]  David L. Grier,et al.  Condensed structure identification and ring perception , 1984, J. Chem. Inf. Comput. Sci..

[12]  Antonio Zamora,et al.  An Algorithm for Finding the Smallest Set of Smallest Rings , 1976, J. Chem. Inf. Comput. Sci..