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

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. ISSN 0886-9383

Abstract

Metadata

Authors/Creators:
  • Clark, R.D.
  • Shepphird, J.K.
  • Holliday, J.D.
Keywords: docking; circular fingerprints; clustering; ROC; validation
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: 27 Aug 2009 11:03
Last Modified: 27 Aug 2009 13:11
Published Version: http://dx.doi.org/10.1002/cem.1240
Status: Published
Publisher: Wiley-Blackwell
Identification Number: https://doi.org/10.1002/cem.1240

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