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From chemical documentation to chemoinformatics: 50 years of chemical information science

University of Sheffield

^* To whom correspondence should be addressed.

	Abstract

This paper summarizes the historical development of the discipline that is now called ‘chemoinformatics’. It shows how this has evolved, principally as a result of technological developments in chemistry and biology during the past decade, from long-established techniques for the modelling and searching of chemical molecules. A total of 30 papers, the earliest dating back to 1957, are briefly summarized to highlight some of the key publications and to show the development of the discipline.

Key Words: chemical documentation; chemical structures; chemoinformatics; drug discovery; history; informatics; molecules; pharmaceutical research

First published on June 13, 2008, doi:10.1177/0165551507084631

Journal of Information Science 2008;34:477.

A more recent version of this article appeared on August 1, 2008


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