Angular spectroscopy - rapid visualization of 3-dimensional substructure dissimilarity using valence angle or torsional descriptors

Allen, F.H., Bath, P.A. and Willett, P. (1995) Angular spectroscopy - rapid visualization of 3-dimensional substructure dissimilarity using valence angle or torsional descriptors. Journal of Chemical Information and Computer Sciences, 35. pp. 261-271. ISSN 0095-2338

Abstract

Metadata

Authors/Creators:
  • Allen, F.H.
  • Bath, P.A.
  • Willett, P.
Keywords: AUTOMATED CONFORMATIONAL-ANALYSIS; 3-DIMENSIONAL PATTERN-RECOGNITION; CAMBRIDGE STRUCTURAL DATABASE; CRYSTALLOGRAPHIC DATA; CLUSTERING ALGORITHMS; PARAMETERS; ENERGY; RINGS
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: 13 Aug 2009 11:03
Last Modified: 17 Aug 2009 11:07
Published Version: http://dx.doi.org/10.1021/ci00024a016
Status: Published
Publisher: American Chemical Society
Identification Number: 10.1021/ci00024a016

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