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Improving graphs of cycles approach to structural similarity of molecules
This paper focuses on determining the structural similarity of two molecules, i.e., the similarity of the interconnection of all the elementary cycles in the corresponding molecular graphs. In this paper, we propose and analyze an algorithmic approach based on the resolution of the Maximum Common Ed...
Autores principales: | Nouleho Ilemo, Stefi, Barth, Dominique, David, Olivier, Quessette, Franck, Weisser, Marc-Antoine, Watel, Dimitri |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6934298/ https://www.ncbi.nlm.nih.gov/pubmed/31881046 http://dx.doi.org/10.1371/journal.pone.0226680 |
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