Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of hERG inhibition, solubility, and lipophilicity

Papadatos, G, Alkarouri, M., Gillet, V.J. et al. (10 more authors) (2010) Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of hERG inhibition, solubility, and lipophilicity. Journal of Chemical Information and Modeling, 50 (10). p. 1872. ISSN 1549-9596

Abstract

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Authors/Creators:
  • Papadatos, G
  • Alkarouri, M.
  • Gillet, V.J.
  • Willett, P.
  • Kadirkamanathan, V.
  • Luscombe, C.N.
  • Bravi, G.
  • Richmond, N.J.
  • Pickett, S.D.
  • Hussain, J.
  • Pritchard, J.M.
  • Cooper, A.W. J.
  • Macdonald, S.J. F.
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
Depositing User: Miss Anthea Tucker
Date Deposited: 01 Jun 2011 10:02
Last Modified: 01 Jun 2011 10:02
Published Version: http://dx.doi.org/10.1021/ci100258p
Status: Published
Publisher: American Chemical Society
Identification Number: https://doi.org/10.1021/ci100258p

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