Hopefully this is an easy question...
Goal: I would like to input multiple structures and I would like to output the fingerprints identified to a sdf file.
This is what I have so far:
- sd file for input, component used is a sd file reader
- breakstrucutres down to fingerprints, component used is 'Molecular Fingerprints' set to ECFP_4
What do I need to add from here to get an output of the actual fingerprint structures and not the SMILES representation?
Thanks,
Jeff