The study on automorphism group of ESESOC.
It is necessary to generate the automorphism group of a chemical graph in computer-aided structure elucidation. In this paper, an algorithm was developed by the all-paths topological symmetry algorithm to build the automorphism group of a chemical graph. A comparison of several topological symmetry algorithms reveals that the all-paths algorithm (APA) could yield the correct class of a chemical graph. It lays a foundation for the ESESOC system in computer-aided structure elucidation.
Hao
Jun-Feng
JF
Changchun Institute of Applied Chemistry, Academia Sinica, People's Republic of China.
Xu
Lu
L