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

Community Extensions RDKit
#1

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..

#2

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

 

#3

Hi Greg,

Thanks a lot for the help....