Analysis and use of fragment-occurrence data in similarity-based virtual screening

Arif, S., Holliday, J.D. and Willett, P. (2009) Analysis and use of fragment-occurrence data in similarity-based virtual screening. Journal of Computer Aided Molecular Design, 23 (9). pp. 655-668. ISSN 0920-654X

Abstract

Metadata

Authors/Creators:
  • Arif, S.
  • Holliday, J.D.
  • Willett, P.
Keywords: Fingerprint; Fragment occurrences; Ligand-based virtual screening; Similarity searching; Substructural fragment; Tanimoto coefficient; Virtual screening; Weighting scheme
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 11:17
Last Modified: 08 Feb 2013 17:39
Published Version: http://dx.doi.org/10.1007/s10822-009-9285-0
Status: Published
Publisher: Springer Verlag
Identification Number: https://doi.org/10.1007/s10822-009-9285-0

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Filename: WRRO_9258.pdf

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