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Reaction Decoder Tool (RDT): extracting features from chemical reactions
2016
Bioinformatics
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
doi:10.1093/bioinformatics/btw096
pmid:27153692
pmcid:PMC4920114
fatcat:dkglyqt6zzaw7mrtk2ylndhfvq