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Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2
BACKGROUND: Searching for substructures in molecules belongs to the most elementary tasks in cheminformatics and is nowadays part of virtually every cheminformatics software. The underlying algorithms, used over several decades, are designed for the application to general graphs. Applied on molecula...
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| Autori principali: | , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
BioMed Central
2012
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| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3586954/ https://ncbi.nlm.nih.gov/pubmed/22849361 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-13 |
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