Node Connectivity

There are 2898 nodes that can be used as successor for a node with an output port of type Table.

MMFF94 Minimizer 

Node for minimizing MMFF94 energy of molecule and/or side chains

CHA Filter 

Processes a list of pharmacophore models to only keep the unique ones. This filtering is based on the feature type and the involved atoms from the ligand. […]

CHA Re-Score 

Reads activity profiles and re-scores them according to their summed activities.

MD Pharmacophore Creator 

Creates a list of pharmocophores out of a DCD/XTC trajectory and a macromolecule

Chiralator 

Chirality Calculator

Fingerprint Calculator 

Extended Connectivity Fingerprint Calculator

Fingerprint Similarity Calculator 

Calculates similarity fingerprints between molecules

InChI Generator 

Generate InChIs for molecules

Property Appender 

Appends a new column/property to an input table

Standard Properties 

Standard Properties Calculator