New uniform and reversible representation of 3D chemical structures

Acta Chimica Slovenica

Volumn 47, Issue 1, 2000, Pages 19-37

  Zupan, Jure ^a   Vračko, Marjan ^a   Novič, Marjana ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0034345529     PISSN: 13180207     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (10)

1. W. J. Wiswesser, A Line-Formula Chemical Notation; T.Y. Crowell, New York, 1954; and E. G. Smith, The Wiswesser Line-Formula Chemical Notation; McGraw Hill, New York, 1968.
2. W. J. Wiswesser, A Line-Formula Chemical Notation; T.Y. Crowell, New York, 1954; and E. G. Smith, The Wiswesser Line-Formula Chemical Notation; McGraw Hill, New York, 1968.
3. As review of different coding systems see for example: J. E. Ash, W. A. Warr, P. Willett, Chemical Structure Systems; Ellis Horwood, New York, 1991.
4. See for example: Concepts of Molecular Similarity; M. A. Johnson and G. M. Maggiora, Eds., Wiley Interscience, New York, 1990.
5. C. Hansh, A. Leo, Exploring QSAR; ACS Professional Reference Book, ACS, Washington, D.C., 1995, Chapter 3.
6. P. L. Chau, P. M. Dean, Molecular recignition: 3D surface structure comparison by gnomonic projection, J. Mol. Graphics 1987, 5, 97-100.
7. J. H. Schuur, P. Selzer, J. Gasteiger, The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlation and Studies of Biological Activity, J. Chem. Inf Comput. Sci. 1996, 36, 334-344,
8. From Chemical Topology to Three-Dimensional Geometry; Ed. A. T. Balaban, Plenum Press, New York, 1997.
9. M. Novič, J. Zupan, A New General and Uniform Structure Representation, in Software Development in Chemistry 10, GDCh; Editor: J. Gasteiger, Frankfurt a.M. 1996, p. 48-58.
10. J. Zupan, M. Novič, General Type of a Uniform and Reversible Representation of Chemical Structures, Anal. Chim. Acta 1997, 348, 409-418.