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RInchI To Rxn

StreamableReaction extension for KNIME Workbench version 1.0.0.qualifer by Lhasa Limited

Converts a RInChI (reaction InChI) into a reaction interchange format. Currently supports MDL RXN and RDF formats.

Options

RInChI
A string column containing the RInChI
Output format
The type of output string that should be produced. RD should be selected if you want to retain agent information.

Input Ports

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A table containing a column with RInChI values

Output Ports

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The input table with the converted reactions appended

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Lhasa reaction contributions from the following update site:

KNIME 4.3

A zipped version of the software site can be downloaded here.

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Developers

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