The Fingerprint Similarity Calculator node generates similarity fingerprints (Tanimoto) for input molecules in respect to a set o…

The Chiralator node calculates the chirality for undefined stereo-centers. Each possible combination is stored in a separate outp…

The Fingerprint Calculator node generates an Extended Connectivity Fingerprint (ECFP) for each input molecule.

The InChI Generator node creates InChIs as strings (text), as molecule InChI cells or generate InChI keys.

The Property Appender node adds a new column to the input table. This is for example needed in order to classify molecules as 'Tr…

The Standard Properties node calculates standard properties for the input molecules. This includes the calculation of Rel. TPSA, …