33. Bibliography

  1. Sheila Ash, Malcolm A. Cline, R. Webster Homer, Tad Hurst and Gregory B. Smith, "SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation", Journal of Chemical Information and Computer Science (JCICS), Vol. 37, No. 1, pp. 71-79, 1997.

  2. Wolf Dietrich Ihlenfeldt and Johann Gasteiger, "Hash Codes for the Identification and Classification of Molecular Structure Elements", Journal of Computational Chemistry, Vol. 15, No. 8, pp. 793-813, 1994.

  3. Geoffrey M. Downs, Valerie Gillet, John D. Holiday and Michael F. Lynch, "Review of Ring Perception Algorithms for Chemical Graphs", Journal of Chemical Information and Computer Science (JCICS), Vol. 29, No. 3, pp. 172-187, 1989.

  4. Johann Gasteiger and Clemens Jochum, "An Algorithm for the Perception of Synthetically Important Rings", Journal of Chemical Information and Computer Science (JCICS), Vol. 19, No. 1, pp. 43-48, 1979.

  5. Paul Labute, "Automatic Assignment of Bond Order", Journal of the Chemical Computing Group, On-line, May 1996.

  6. Andrew R. Leach, Daniel P. Dolata and Keith Prout, "Automated Conformational Analysis and Structure Generation: Algorithms for Molecular Perception", Journal of Chemical Information and Computer Science (JCICS), Vol. 30, No. 3, pp. 316-324, 1990.

  7. Douglas Lloyd, "What Is Aromaticity?", Journal of Chemical Information and Computer Science (JCICS), Vol. 36, No. 3, pp. 442-447, 1996.

  8. Simon K. Kearsley, "A Quick Robust Method for Assigning A Kekulé Structure", Computers in Chemistry, Vol. 17, No. 1, pp. 1-10, 1993.

  9. H.L. Morgan, "The Generation of a Unique Machine Description for Chemical Structures Developed at Chemical Abstracts Service", Journal of Chemical Documentation, Vol. 5, pp. 107-113, 1965.

  10. Barbara L. Roos-Kozel and William L. Jorgensen, "Computer-Assisted Mechanistic Evaluation of Organic Reactions 2: Perception of Rings, Aromaticity and Tautomers", Journal of Chemical Information and Computer Science (JCICS), Vol. 21, No. 2, pp. 101-111, 1981.

  11. Craig A. Shelley and Morton E. Munk, "Computer Perception of Topological Symmetry", Journal of Chemical Information and Computer Science (JCICS), Vol. 17, No. 2, pp. 110-113, 1977.

  12. Craig A. Shelley and Morton E. Munk, "An Approach to the Assignment of Canonical Connection Tables and Topological Symmetry Perception", Journal of Chemical Information and Computer Science (JCICS), Vol. 19, No. 4, pp. 247-250, 1979.

  13. David Weininger, Arthur Weininger and Joseph L. Weininger, "SMILES. 2. Algorithm for Generation of Unique SMILES Notation", Journal of Chemical Information and Computer Science (JCICS), Vol. 29, No. 2, pp. 97-101, 1989.

  14. "A Comparison of Algorithms for Maximum Common Subgraph on Randomly Connected Graphs", H. Bunke1, P. Foggia, C. Guidobaldi, C. Sansone, M. Vento, Lecture Notes In Computer Science, 2396, Proceedings of the Joint IAPR International Workshop on Structural, Syntactic, and Statistical Pattern Recognition, pp123-132, 2002. (OEChem MCSS based on "space state search" method described herein.)