Gedeck, P. and Willett, P. (2001) Visual and computational analysis of structure-activity relationships in high-throughput screening data. Current Opinion in Chemical Biology, 5 (4). pp. 389-395. ISSN 1367-5931
Abstract
Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent work in visualisation and data mining that can be used to develop structure-activity relationships from such chemical/biological datasets.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | Copyright © 2001 Elsevier Science Ltd. This is an author produced version of a paper published in Current Opinion in Chemical Biology. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | data analysis, data visualisation, data mining, drug-likeness, classification |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield) The University of Sheffield > University of Sheffield Research Centres and Institutes > The Krebs Institute for Biomolecular Research (Sheffield) |
Depositing User: | Sherpa Assistant |
Date Deposited: | 14 Jan 2008 16:45 |
Last Modified: | 08 Feb 2013 16:55 |
Published Version: | http://dx.doi.org/10.1016/S1367-5931(00)00219-2 |
Status: | Published |
Publisher: | Elsevier |
Refereed: | Yes |
Identification Number: | 10.1016/S1367-5931(00)00219-2 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:3572 |