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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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Main Authors: Nakamura, Masaomi, Hachiya, Tsuyoshi, Saito, Yutaka, Sato, Kengo, Sakakibara, Yasubumi
格式: Artigo
語言:Inglês
出版: BioMed Central 2012
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3521390/
https://ncbi.nlm.nih.gov/pubmed/23282285
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-13-S17-S8
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