CDK
Nodes using the Chemistry Development Kit (CDK)
This category contains 29 nodes.
3D
Nodes for 3D CDK molecules
AMBIT
AMBIT
I/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.