Node Connectivity

There are 2885 nodes that can be used as successor for a node with an output port of type Table.

2D Coordinates 

Generates 2D coordinates for CDK cells

Atom Signatures 

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

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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

Lipinski's Rule-of-Five 

Calculates the number failures of the Lipinski's Rule Of Five.