KNIME node for manifold search

Dear Manifold developers,
first of all, great tool, great interface, awesome!

the cherry on the cake would be to also provide an interface via a KNIME node for the search.

Similar to what is around for some of the included vendors like molport or chemspace already,

Input: SMILES or Inchi

Options:
-Synthesis/Exact/Similarity/Substructure Search
-in-stock or/and on-demand Compounds included

Output: Compound SMILES / Inchi / Vendor / Vendor-ID

best regards,
Jan

3 Likes

Thanks @jan_wollenhaupt for the detailed outline of the feature! We will definitely look into the ease of exposing our interface to KNIME.

-Matt

Hi Jan/Matt,

Can I suggest to expose it as an API, so we could also use it from python/rdkit, pipeline pilot…?

Cheers,

1 Like

Thanks, @bart.lenselink,

Great suggestion! I have to admit that I am not as familiar with KNIME as I should be – but from an initial look through, the hope is that we can simply make a RESTful API easy to use in python and other tools, that can also be rolled into KNIME.

Thanks again for the comments,
Matt