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Finding a Maximum Common Subgraph from Molecular Structural Formulas through the Maximum Clique Approach Combined with the Ising Model
[Image: see text] We examined the maximum common subgraph (MCS) of four neuraminidase inhibitors that were antiviral medication for treating and preventing type A and B influenza viruses. The MCS was obtained by finding a maximum clique of an association graph constructed from the two input chemical...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7288595/ https://www.ncbi.nlm.nih.gov/pubmed/32548491 http://dx.doi.org/10.1021/acsomega.0c00987 |