CDK

Nodes using the Chemistry Development Kit (CDK)

This category contains 29 nodes.

Icon3D 

Nodes for 3D CDK molecules

IconAMBIT 

AMBIT

IconI/O 

Nodes for CDK molecule conversion

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 

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.