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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Detalles Bibliográficos
Autores principales: Ehrlich, Hans-Christian, Rarey, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3586954/
https://www.ncbi.nlm.nih.gov/pubmed/22849361
http://dx.doi.org/10.1186/1758-2946-4-13

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3586954/
https://www.ncbi.nlm.nih.gov/pubmed/22849361
http://dx.doi.org/10.1186/1758-2946-4-13

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