Bohl, M., Dunbar, J., Gifford, E.M. et al. (4 more authors) (2003) Scaffold searching: automated identification of similar ring systems for the design of combinatorial libraries. Quantitative Structure-Activity Relationships, 21 (6). pp. 590-597. ISSN 1611-0218
Abstract
Rigid ring systems can be used to position receptor-binding functional groups in 3D space and they thus play an increasingly important role in the design of combinatorial libraries. This paper discusses the use of shape-similarity methods to identify ring systems that are structurally similar to, and aligned with, a user-defined target ring system. These systems can be used as alternative scaffolds for the construction of a combinatorial library.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2003 Wiley. This is an author produced version of a paper published in Quantitative structure-activity relationships. Uploaded in accordance with the publisher's self-archiving policy. |
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: | 11 Jan 2008 15:45 |
Last Modified: | 08 Feb 2013 16:55 |
Published Version: | http://dx.doi.org/10.1002/qsar.200290001 |
Status: | Published |
Publisher: | Wiley |
Refereed: | Yes |
Identification Number: | 10.1002/qsar.200290001 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:3571 |