Skip to main content

AUTONOM — A Chemist’s Dream: System for (Micro)Computer Generation of IUPAC-Compatible Names from Structural Input

  • Conference paper
Chemical Structures 2

Abstract

This paper describes the general design and state-of-the-art of AUTONOM, a computer expert system for unambiguous automatic translation of structural diagrams of organic compounds into chemical names. The algorithm designed for AUTONOM operates on structure diagrams entered via a structure drawing package and generates names exclusively on the basis of the connection tables of the input structures. The IUPAC rules have been adopted as the basis of naming rationales, however, some ‘respectable’ nomenclature practices, which lead to succinct and intelligible names but have not yet been sanctioned or codified by IUPAC are also followed. It is expected that the system, when fully implemented will provide the chemical community with a valuable tool.

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

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. International Union of Pure and Applied Chemistry. Nomenclature of Organic Chemistry, Sections A-F and H; Pergamon: Oxford, 1979.

    Google Scholar 

  2. ‘Chemical Nomenclature into The Next Millennium - Has It a Role?’, Conference on Chemical Nomenclature, London, England, Nov. 1987.

    Google Scholar 

  3. Vander Stouw, G.G., Gustafson, C., Rule, J.D., Watson, C.E. ‘The Chemical Abstracts Service Chemical Registry System. IV. Use of the Registry System to Support the Preparation of Index Nomenclature’. J. Chem. Inf. Comput. Sci. 1976, 16, 213–218.

    Article  Google Scholar 

  4. Mockus, J., Isenberg, A.C., Vander Stouw, G.G. ‘Algorithmic Generation of Chemical Abstracts Index Names. 1. General Design’. J. Chem. Inf. Comput. Sci. 1981, 21, 183–195.

    Article  CAS  Google Scholar 

  5. Meyer, D.E., Gould, S.R. ‘Microcomputer Generation of Chemical Nomenclature from Graphic Structure Input’. Am. Lab. (Fairfield), Conn. 1988, 20 (11), 92–96.

    CAS  Google Scholar 

  6. Wisniewski, J.L. ‘Effective Text Compression with Simultaneous Digram and Trigram Encoding’. J. Inf. Sci. 1987, 13, 159–164.

    Article  Google Scholar 

  7. International Union of Pure and Applied Chemistry. ‘Revision of the Extended Hantzsch-Widman System of Nomenclature for Heteromonocycles’. Pure Appl. Chem. 1983, 55 (2), 409–416.

    Google Scholar 

  8. Tenenbaum, A.M., Augenstein, M.J. ‘Data Structures Using Pascal’, Prentice-Hall: Englewood Cliffs, New Jersey, 1981, p. 318.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 1993 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Wisniewski, J.L. (1993). AUTONOM — A Chemist’s Dream: System for (Micro)Computer Generation of IUPAC-Compatible Names from Structural Input. In: Warr, W.A. (eds) Chemical Structures 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-78027-1_6

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-78027-1_6

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-78029-5

  • Online ISBN: 978-3-642-78027-1

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics