The effect of structural redundancy in validation sets on virtual screening performance

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Clark, R.D., Shepphird, J.K. and Holliday, J.D. (2009) The effect of structural redundancy in validation sets on virtual screening performance. Journal of Chemometrics, 23 (9-10). 471 - 478. ISSN 0886-9383

Abstract

Metadata

Authors/Creators:
  • Clark, R.D.
  • Shepphird, J.K.
  • Holliday, J.D.
Copyright, Publisher and Additional Information: © 2009 John Wiley & Sons, Ltd. This is an author produced version of a paper subsequently published in Journal of Chemometrics. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: Docking; Circular fingerprints; Clustering; ROC; Validation
Dates:
  • Published: September 2009
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
Depositing User: Information Studies
Date Deposited: 03 Mar 2014 16:23
Last Modified: 03 Mar 2014 16:23
Published Version: http://dx.doi.org/10.1002/cem.1240
Status: Published
Publisher: John Wiley & Sons
Refereed: Yes
Identification Number: https://doi.org/10.1002/cem.1240

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