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Chemical structure representation for information exchange

Thomas Engel (Computer Specialist at the Computer‐Chemie‐Centrum and Institute for Organic Chemistry, University of Erlangen‐Nürnberg, Erlangen, Germany.)
Johann Gasteiger (Professor at the Computer‐Chemie‐Centrum and Institute for Organic Chemistry, University of Erlangen‐Nürnberg, Erlangen, Germany.)

Online Information Review

ISSN: 1468-4527

Article publication date: 1 June 2002

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Abstract

Information exchange is of primary importance in any scientific discipline but particularly so in such an information‐rich domain as chemistry. Chemists have developed a language of their own for representing information which is essentially graphical in nature: structure diagrams and reaction equations. Methods of converting this graphical language into a computer representation have been developed and efforts have been made to standardise such representations. This paper reports on these achievements and points out where further work has to be done.

Keywords

Citation

Engel, T. and Gasteiger, J. (2002), "Chemical structure representation for information exchange", Online Information Review, Vol. 26 No. 3, pp. 139-145. https://doi.org/10.1108/14684520210432431

Publisher

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MCB UP Ltd

Copyright © 2002, MCB UP Limited

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