This short workflow demonstrates how to generate chemical fingerpints using different methods. It uses nodes from the RDKit and the Vernalis extensions which are freely available. Both methods create hashed fingerprints. The resulting cardinality (how often 1 occurs in the bit string) can be used to calculate the fingerprint darkness. Increased bit string length results in reduced darkness.
Used extensions & nodes
Created with KNIME Analytics Platform version 4.3.0
By using or downloading the workflow, you agree to our terms and conditions.
Discussions are currently not available, please try again later.