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Comparison of Maximum Common Subgraph Isomorphism Algorithms for the Alignment of 2D Chemical Structures

Edmund Duesbury1,2, John Holliday2, Peter Willett2

  • 1Computer-Aided Drug Design, UCB Pharma, 208 Bath Road, Slough, SL1 3WE, UK.

Chemmedchem
|October 24, 2017
PubMed

Keywords:
chemoinformaticsdrug discoverymaximum common subgraphmaximum common substructuremolecular alignment

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