How to fix the rendering of bit string to set bits in Rdkit fingerprint output table??

Hi all,

 

I am a novice in using RDkit fingerprint node. I have been using the node to generate the MACCS fingerprints of a sdf file. The output is in the form of bit string and I am able to see the 'set bits' option under available renderers but I am unable to save them as set bits, I am extremely sorry for this question and please help me to get set bits for the compounds rather than bit strings for MACCS keys.

Many thanks in advance 

Vishnu..

Hi Vishnu,

Assuming that I understand your question correctly and that you want to collect the list of set bits into a KNIME collection column, I believe that the attached workflow should work.

I hope this helps,

-greg

 

Hi Greg,

Thanks a lot for the help....