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Enumeration method for tree-like chemical compounds with benzene rings and naphthalene rings by breadth-first search order

BACKGROUND: Drug discovery and design are important research fields in bioinformatics. Enumeration of chemical compounds is essential not only for the purpose, but also for analysis of chemical space and structure elucidation. In our previous study, we developed enumeration methods BfsSimEnum and Bf...

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Detalles Bibliográficos
Autores principales:	Jindalertudomdee, Jira, Hayashida, Morihiro, Zhao, Yang, Akutsu, Tatsuya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2016
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4774041/ https://www.ncbi.nlm.nih.gov/pubmed/26932529 http://dx.doi.org/10.1186/s12859-016-0962-4

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