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Maximum Symmetrical Split of Molecular Graphs. Application to Organic Synthesis Design

Abstract : Whereas the potential symmetry of a molecule may be a feature of importance in synthesis design, this one is often difficult to detect visually in the structural formula. In the present article, we describe an efficient algorithm for the perception of this molecular property.
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https://hal-lirmm.ccsd.cnrs.fr/lirmm-00105296
Contributor : Christine Carvalho de Matos <>
Submitted on : Wednesday, October 11, 2006 - 7:51:13 AM
Last modification on : Thursday, May 24, 2018 - 3:59:21 PM
Long-term archiving on: : Tuesday, April 6, 2010 - 7:15:33 PM

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Philippe Vismara, Claude Laurenço, Yannick Tognetti. Maximum Symmetrical Split of Molecular Graphs. Application to Organic Synthesis Design. Journal of Chemical Information and Modeling, American Chemical Society, 2005, 45 (3), pp.685-695. ⟨lirmm-00105296⟩

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