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Theoretical aspects of ring perception and development of the extended set of smallest rings concept

Authors :
Geoffrey M. Downs
Valerie J. Gillet
John D. Holliday
Michael F. Lynch
Source :
Journal of Chemical Information and Computer Sciences. 29:187-206
Publication Year :
1989
Publisher :
American Chemical Society (ACS), 1989.

Abstract

This paper considers the problems associated with processing planar (two-dimensional) representations of three-dimensional structures. To overcome the ambiguity of such representations, a new ring set is defined in terms of simple faces and cut faces. The concept of a cut-vertex graph is introduced to explain the combinatorial relationship between the number of simple faces and the number of planar embedments

Details

ISSN :
15205142 and 00952338
Volume :
29
Database :
OpenAIRE
Journal :
Journal of Chemical Information and Computer Sciences
Accession number :
edsair.doi...........b5f3415871c48b06b5ba4c38870ea1d1
Full Text :
https://doi.org/10.1021/ci00063a008