Generating chemical fingerprints

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.

External resources

• RDKit Fingerprints
• Morgan algorithm