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An efficient algorithm for de novo predictions of biochemical pathways between chemical compounds

BACKGROUND: Prediction of biochemical (metabolic) pathways has a wide range of applications, including the optimization of drug candidates, and the elucidation of toxicity mechanisms. Recently, several methods have been developed for pathway prediction to derive a goal compound from a start compound...

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Detalles Bibliográficos
Autores principales: Nakamura, Masaomi, Hachiya, Tsuyoshi, Saito, Yutaka, Sato, Kengo, Sakakibara, Yasubumi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3521390/
https://www.ncbi.nlm.nih.gov/pubmed/23282285
http://dx.doi.org/10.1186/1471-2105-13-S17-S8