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

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  • Additional Information
    • Source:
      Publisher: Oxford University Press Country of Publication: England NLM ID: 9808944 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1367-4811 (Electronic) Linking ISSN: 13674803 NLM ISO Abbreviation: Bioinformatics Subsets: MEDLINE
    • Publication Information:
      Original Publication: Oxford : Oxford University Press, c1998-
    • Subject Terms:
      Metabolic Networks and Pathways* ; Software*; Biochemistry/*methods ; Computational Biology/*methods; Data Mining ; Databases, Chemical
    • Abstract:
      Unlabelled: 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 supports standard chemical input/output exchange formats i.e. RXN/SMILES, computes AAM, highlights BCs and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features.
      Availability and Implementation: This software is implemented in Java, supported on Windows, Linux and Mac OSX, and freely available at https://github.com/asad/ReactionDecoder
      Contact: : [email protected] or [email protected].
      (© The Author 2016. Published by Oxford University Press.)
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    • Publication Date:
      Date Created: 20160507 Date Completed: 20170821 Latest Revision: 20190111
    • Publication Date:
      20240829
    • Accession Number:
      PMC4920114
    • Accession Number:
      10.1093/bioinformatics/btw096
    • Accession Number:
      27153692