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Parallelization of enumerating tree-like chemical compounds by breadth-first search order

Enumeration of chemical compounds greatly assists designing and finding new drugs, and determining chemical structures from mass spectrometry. In our previous study, we developed efficient algorithms, BfsSimEnum and BfsMulEnum for enumerating tree-like chemical compounds without and with multiple bo...

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Detalles Bibliográficos
Autores principales:	Hayashida, Morihiro, Jindalertudomdee, Jira, Zhao, Yang, Akutsu, Tatsuya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2015
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4460618/ https://www.ncbi.nlm.nih.gov/pubmed/26044861 http://dx.doi.org/10.1186/1755-8794-8-S2-S15

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