An algorithm for computing the automorphism group of organic structures with stereochemistry and a measure of its efficiency

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 3, 1998, Pages 402-404

  Agarwal, Krishna K ^a  

^a LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012079670     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9700539     Document Type: Article

References (7)

1. Agarwal, K. K.; Gelernter, H. L. A Computer-Oriented Linear Canonical Notational System for the Representation of Organic Structures with Stereochemistry. J. Chem. Inf. Comput, Sci. 1994, 3, 463-479.
2. Gelernter, H. L., et. al.: Empirical Explorations with SYNCHEM2. Science September 7, 1977, 197, 1041-1049.
3. Agarwal, K. K. Ph.D. Thesis, Department of Computer Science, State University of New York at Stony Brook, 1976.
4. Balasubramanian, K. Computational Techniques for the Automorphism Groups of Graphs. J. Chem. Inf. Comput. Sci. 1994, 3, 621-626.
5. Figueras, I Automorphism and Equivalence Classes. J. Chem. Inf. Comput. Sci. 1992, 32, 153-157.
6. Rucker, G.; Rucker, C: Computer Perception of Constitutional (Topological) Symmetry. J. Chem. Inf. Comput. Sci. 1990, 30, 187-191.
7. Laidbouer, T., et. al. Determination of Topo-Geometrical Equivalence Classes of Atoms. J. Chem. Inf. Comput. Sci. 1997, 37, 87-91.