Skip to main content
SpringerLink
Log in

A proximity measure of line drawings for comparison of chemical compounds

  • Structural Approaches
  • Conference paper
  • First Online:
Book cover Computer Analysis of Images and Patterns (CAIP 1993)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 719))

Included in the following conference series:

Abstract

Cox et.al. proposed a distance between convex polygons and its computing method. This paper describes a distance between general line drawings and its computing method. A general line drawing in this paper is not only a connected one but also nonconnected one, and is not only a 2-D one but also a 3-D one. This metric can be applied to comparison of the shapes of chemical compounds. The method of steepest descent can be used in the process of pruning. The computing time was reduced on average to 36.4% of that of a brute force method in computation of 100 cases.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. J.E. Amoore, G. Palmieri and E. Wanke: Molecular shape and odour: Pattern analysis by PAPA, Nature, Vol.216, pp.1084–1087 (1967).

    Google Scholar 

  2. M.Marsili, P.Floersheim and A.S. Dreiding: Generation and comparison of space-filling molecular models, Computers and Chemistry, Vol.7, No.4, pp.175–181 (1983).

    Google Scholar 

  3. A.Y.Meyer and W.G. Richards: Similarity of molecular shape, J. Computer-Aided Molecular Design, Vol.5, pp.427–439 (1991).

    Google Scholar 

  4. P.Cox, H.Maitre, M.Minoux and C.Ribeiro: Optimal matching of convex polygons, Pattern Recognition Letters, Vol.9, pp.327–334 (1989).

    Google Scholar 

  5. I. Bloch-Boulanger, H. Maitre and M. Minoux: Optimal matching of 3-D convex polyhedra, Telecom Paris 89C003 (1989).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Electrical and Electronics Engineering Faculty of Engineering, Kobe University, Nada, 657, Kobe, Japan

    Eiichi Tanaka, Hiroaki Awano & Sumio Masuda

Authors
  1. Eiichi Tanaka
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Hiroaki Awano
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Sumio Masuda
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Dmitry Chetverikov Walter G. Kropatsch

Rights and permissions

Reprints and permissions

Copyright information

© 1993 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Tanaka, E., Awano, H., Masuda, S. (1993). A proximity measure of line drawings for comparison of chemical compounds. In: Chetverikov, D., Kropatsch, W.G. (eds) Computer Analysis of Images and Patterns. CAIP 1993. Lecture Notes in Computer Science, vol 719. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-57233-3_39

Download citation

  • DOI: https://doi.org/10.1007/3-540-57233-3_39

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-57233-6

  • Online ISBN: 978-3-540-47980-2

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation