RDKit Descriptor meanings

There have been several posts about the meaning of the RDKit descriptors, for example this one:

(I’m going to tag @Aaron_Hart and @greglandrum as they were in the original discussion there, along with @manuelschwarze in case it’s useful!)

Having encountered the same question, I created a component which is now available on the KNIME hub at

You need the @Vernalis extensions installed to make this work (along with the RDKit nodes - but I assume if you run into this problem you have those already!)

The output contains a ‘Descriptions’ column, along with a collection column of the column names (This is needed because some of the descriptors return several columns - obviously you can Ungroup if you need a list of all the individual column names or use the Collection to String node if you want a simple string representation of them all in a single cell, e.g. to include in a report)



Hi Steve,

thanks for putting in the extra work!

The Community Hub link seems to be broken, at least for me it results in a 500 Server Error. Therefore, I could not try it out yet, but from your description it could be useful for some KNIME users.


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It seems to be working at the moment - maybe just the hub was having a bit of a moment?


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