Evaluation of machine-learning methods for ligand-based virtual screening

Chen, B., Harrison, R.F., Papadatos, G. et al. (5 more authors) (2007) Evaluation of machine-learning methods for ligand-based virtual screening. Journal of Computer-Aided Molecular Design, 21 (1-3). 53 - 62.

Abstract

Metadata

Authors/Creators:
  • Chen, B.
  • Harrison, R.F.
  • Papadatos, G.
  • Willett, P.
  • Wood, D.J.
  • Lewell, X.Q.
  • Greenidge, P.
  • Stiefl, N.
Copyright, Publisher and Additional Information: © 2007 Kluwer Academic Publishers. This is an author produced version of a paper subsequently published in Journal of Computer-Aided Molecular Design . Uploaded in accordance with the publisher's self-archiving policy.
Keywords: Group fusion; � Kernel discrimination; � Ligand-based virtual screening; � Machine learning; � Naive Bayesian classifier; � Similarity searching; � Virtual screening
Dates:
  • Published: January 2007
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Automatic Control and Systems Engineering (Sheffield)
The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield)
The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 10 Feb 2014 15:35
Last Modified: 14 Feb 2014 11:41
Published Version: http://dx.doi.org/10.1007/s10822-006-9096-5
Status: Published
Publisher: Kluwer
Refereed: Yes
Identification Number: https://doi.org/10.1007/s10822-006-9096-5

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