Duesbury, E., Holliday, J.D. and Willett, P. orcid.org/0000-0003-4591-7173 (2017) Maximum Common Subgraph Isomorphism Algorithms. MATCH Communications in Mathematical and in Computer Chemistry, 77 (2). pp. 213-232. ISSN 0340-6253
Abstract
Maximum common subgraph (MCS) isomorphism algorithms play an important role in chemoinformatics by providing an effective mechanism for the alignment of pairs of chemical structures. This article discusses the various types of MCS that can be identified when two graphs are compared and reviews some of the algorithms that are available for this purpose, focusing on those that are, or may be, applicable to the matching of chemical graphs.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2016 MATCH. This is an author produced version of a paper subsequently published in MATCH Commun. Math. Comput. Chem. Uploaded with permission from the copyright holder. |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 16 Aug 2016 08:45 |
Last Modified: | 30 Jun 2017 16:25 |
Published Version: | http://match.pmf.kg.ac.rs/content77n2.htm |
Status: | Published |
Refereed: | Yes |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:102232 |