Node Connectivity

There are 5216 nodes that can be used as predessesor for a node with an input port of type Generic Port.

Molecule to CDK 

Translates various string representations into a specialised CDK type for further processing in CDK based nodes.

2D Coordinates 

Generates 2D coordinates for CDK cells

Atom Signatures 

This node generates atom signatures describing the neighbourhood of individual atoms in CDK molecules.

ChemSpider (deprecated) Deprecated

DEPRECATED. NOT WORKING ANYMORE. Download molecular structures from ChemSpider.com.

Connectivity 

Handles unconnected molecules

Depiction Streamable

Depict CDK structures into images

Element Filter 

Filters molecules by element type occurrence.

Fingerprint Similarity 

Calculates the Tanimoto similarity coefficient for two fingerprints of equal size.

Fingerprints 

Generate fingerprints for CDK molecules

Hydrogen Manipulator 

Manipulates hydrogens of CDK molecules