Identification of diverse database subsets using property-based and fragment-based molecular descriptions

Ashton, M., Barnard, J., Casset, F. et al. (6 more authors) (2003) Identification of diverse database subsets using property-based and fragment-based molecular descriptions. Quantitative Structure-Activity Relationships, 21 (6). pp. 598-604.

Abstract

Metadata

Authors/Creators:
  • Ashton, M.
  • Barnard, J.
  • Casset, F.
  • Charlton, M.
  • Downs, G.
  • Gorse, D.
  • Holliday, J.D. (j.d.holliday@sheffield.ac.uk)
  • Lahana, R.
  • Willett, P. (p.willett@sheffield.ac.uk)
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.
Keywords: diversity, molecular diversity analysis, structural diversity, subset selection
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 15:58
Last Modified: 08 Feb 2013 16:55
Published Version: http://dx.doi.org/10.1002/qsar.200290002
Status: Published
Publisher: Wiley
Refereed: Yes
Identification Number: https://doi.org/10.1002/qsar.200290002

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