Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures

Raymond, J.W., Blankley, C.J. and Willett, P. (2003) Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures. Journal of Molecular Graphics and Modelling, 21 (5). pp. 421-433. ISSN 1093-3263

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Authors/Creators:
  • Raymond, J.W.
  • Blankley, C.J.
  • Willett, P.
Copyright, Publisher and Additional Information: Copyright © 2002 Elsevier Science Inc. This is an author produced electronic version of an article accepted for publication in Journal of Molecular Graphics and Modelling.
Keywords: Bit-string; Chemical graph; Chemical series; Clustering method; Fingerprint; Maximum common subgraph; Molecular similarity; Similarity
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
The University of Sheffield > University of Sheffield Research Centres and Institutes > The Krebs Institute for Biomolecular Research (Sheffield)
Depositing User: Repository Officer
Date Deposited: 15 Nov 2004
Last Modified: 05 Jun 2014 22:44
Published Version: http://www.elsevier.com/locate/JMGM
Status: Published
Refereed: Yes
Identification Number: https://doi.org/10.1016/S1093-3263(02)00188-2

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