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Journal of Information Science
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What's this?

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

Peter Willett

University of Sheffield, p.willett{at}sheffield.ac.uk

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

This version was published on August 1, 2008

Journal of Information Science, Vol. 34, No. 4, 477-499 (2008)
DOI: 10.1177/0165551507084631
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