CDK
Nodes using the Chemistry Development Kit (CDK)
This category contains 29 nodes.
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.
Mass Calculator
This node calculates the molecular mass or molar mass of a sum formula.
Molecular Properties
Calculates molecular properties using CDK
OPSIN
Retrieves various formats for a given molecule.
SMARTS Query
Filters molecules based on a SMARTS search
Structure Sketcher
Sketch a molecular structure
Substructure Search
Filters molecules based on a fragment
Sugar Remover
This node removes sugars from compounds