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.
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References
International Union of Pure and Applied Chemistry. Nomenclature of Organic Chemistry, Sections A-F and H; Pergamon: Oxford, 1979.
‘Chemical Nomenclature into The Next Millennium - Has It a Role?’, Conference on Chemical Nomenclature, London, England, Nov. 1987.
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.
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.
Meyer, D.E., Gould, S.R. ‘Microcomputer Generation of Chemical Nomenclature from Graphic Structure Input’. Am. Lab. (Fairfield), Conn. 1988, 20 (11), 92–96.
Wisniewski, J.L. ‘Effective Text Compression with Simultaneous Digram and Trigram Encoding’. J. Inf. Sci. 1987, 13, 159–164.
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.
Tenenbaum, A.M., Augenstein, M.J. ‘Data Structures Using Pascal’, Prentice-Hall: Englewood Cliffs, New Jersey, 1981, p. 318.
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© 1993 Springer-Verlag Berlin Heidelberg
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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
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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
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