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Prediction of metabolic reactions based on atomic and molecular properties of small-molecule compounds

Motivation: Our knowledge of the metabolites in cells and their reactions is far from complete as revealed by metabolomic measurements that detect many more small molecules than are documented in metabolic databases. Here, we develop an approach for predicting the reactivity of small-molecule metabo...

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Autors principals: Mu, Fangping, Unkefer, Clifford J., Unkefer, Pat J., Hlavacek, William S.
Format: Artigo
Idioma:Inglês
Publicat: Oxford University Press 2011
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3102224/
https://ncbi.nlm.nih.gov/pubmed/21478194
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btr177
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