Add more descriptors to RDKit Descriptor Calculation node

Hi,

After reading this post I wondered if it is feasible to add more descriptors to the RDKit Descriptor Calculation node, since RDKit can calculate up to 200 different ones. I believe this can be beneficial in certain cases. In many papers where people use RDKit command line they use the full set so it would be an enhancement for Knime imo.

Thanks/Evert

1 Like

That would be very useful indeed.
+1