Structure to Term node Request


Many thanks for the implementation of the Term to Structure node, this is really great.

However, is it possible to use this OSCAR code to do the reverse transformation, convert Smiles structures into chemical names.

This is completely absent from KNIME at the moment, and I am not aware of any easy way to do a list of structures to chemical names without paying for very expensive applications to do this.

It is very useful to undertake this transformation for writing up papers for journals, and also for writing patents. It would be useful both to academia and industries such as Pharma.

Any thoughts,



as far as i have seen, the OSCAR library provides no methods to convert Smiles into chemical names. There are libraries or tools around which can do this but it seems that these tools are not for free. Do you know any free tool or library (preferably in java) which provides something like that ?

Cheers, Kilian