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

Chen, B., Harrison, R., Papadatos, G., Willett, P., Wood, D., Lewell, X., Greenidge, P. and Stiefl, N. (2007) Evaluation of machine-learning methods for ligand-based virtual screening. Journal of Computer-Aided Molecular Design, 21 (1-3). pp. 53-62. ISSN 0920-654X

Abstract

Metadata

Authors/Creators:
  • Chen, B.
  • Harrison, R.
  • Papadatos, G.
  • Willett, P.
  • Wood, D.
  • Lewell, X.
  • Greenidge, P.
  • Stiefl, N.
Copyright, Publisher and Additional Information: © 2007 Springer. This is an author produced version of a paper subsequently published in Journal Title. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: group fusion, kernel discrimination, lLigand-based virtual screening, machine learning, naive Bayesian classifier, similarity searching, virtual screening
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
Depositing User: Repository Officer
Date Deposited: 09 Jan 2008 15:34
Last Modified: 08 Feb 2013 16:55
Published Version: http://dx.doi.org/10.1007/s10822-006-9096-5
Status: Published
Publisher: Springer
Refereed: Yes
Identification Number: 10.1007/s10822-006-9096-5

Download

Filename: willettsp10_PapadatosWood_YCM_VirtualScreening.pdf

Share / Export

Statistics