We have released a new plugin providing some new nodes handling chemical reactions.
These nodes integrate two open source projects:
The RInChI nodes allow for the conversion of RXN and RDF strings to reaction InChI strings and keys. The reverse conversion can also be done with the same caveats as round tripping molecules through InChI.
The RDT integration provides the RDT tools annotator and reaction mapping capabilities. Reactions can be mapped outputting a mapped RXN string as well as two graphical representations of the atom atom mapping.
These nodes should be available in the nightly and 3.7 builds.
Please let me know if you run into any trouble using the nodes.
I have provided a new reaction cell type to handle RDF strings. I think it would be benefitial to migrate this to the chemical types knime plugin.