Is it possible to use fingerprints (e.g. from RDKIT) with the H2O nodes? I’ve seen people using H2O for chemical applications so hoping so, but can’t get it to work myself.
When I try to pass a fingerprint column to the table to H2O node it is not recognised.
I just tried and it seems H2O nodes do not recognize fingerprint data type. Maybe there is a way to get it to work with fingerprints but I’m not aware of how so far.
One possible solution in the meanwhile is to expand the fingerprints column with the -Expand Bit Vector- node, so that you get a column per bit in the fingerprint:
Not a very compact solution but at least feasible for now.
The solution using the -Expand Bit Vector- node should look like as follows:
Hope it helps.
A workflow example of what I mentioned before is available now on the KNIME HUB, at the following link:
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