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Enumerating tree-like chemical graphs with given upper and lower bounds on path frequencies

BACKGROUND: Enumeration of chemical graphs satisfying given constraints is one of the fundamental problems in chemoinformatics and bioinformatics since it leads to a variety of useful applications including structure determination of novel chemical compounds and drug design. RESULTS: In this paper,...

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Detalles Bibliográficos
Autores principales:	Shimizu, Masaaki, Nagamochi, Hiroshi, Akutsu, Tatsuya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2011
Materias:	Proceedings
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3287468/ https://www.ncbi.nlm.nih.gov/pubmed/22373441 http://dx.doi.org/10.1186/1471-2105-12-S14-S3

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