Reaction Decoder Tool (RDT): extracting features from chemical reactions

Summary: Extracting chemical features like Atom–Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It...

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Detalhes bibliográficos
Publicado no:Bioinformatics
Main Authors: Rahman, Syed Asad, Torrance, Gilliean, Baldacci, Lorenzo, Martínez Cuesta, Sergio, Fenninger, Franz, Gopal, Nimish, Choudhary, Saket, May, John W., Holliday, Gemma L., Steinbeck, Christoph, Thornton, Janet M.
Formato: Artigo
Idioma:Inglês
Publicado em: Oxford University Press 2016
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Applications Notes
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4920114/
https://ncbi.nlm.nih.gov/pubmed/27153692
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btw096
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