CDK

Nodes using the Chemistry Development Kit (CDK)

This category contains 29 nodes.

Generate fingerprints for CDK molecules

Manipulates hydrogens of CDK molecules

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

This node calculates the molecular mass or molar mass of a sum formula.

Calculates molecular properties using CDK

Retrieves various formats for a given molecule.

Filters molecules based on a SMARTS search

Sketch a molecular structure

Filters molecules based on a fragment

This node removes sugars from compounds