Icon

3.4_​Similarity_​Substructure

Similarity Search Substructure Search SimilarityquerySMILESTanimoto similarityCompound ListMorganFPradius2, 2048bitsMorganFPradius2, 2048bitsSubstructurequerySMILES Table Creator Molecule Type Cast Similarity Search DataLoader RDKit Fingerprint RDKit Fingerprint Table Creator Molecule Type Cast RDKit MoleculeSubstructure Filter Similarity Search Substructure Search SimilarityquerySMILESTanimoto similarityCompound ListMorganFPradius2, 2048bitsMorganFPradius2, 2048bitsSubstructurequerySMILES Table Creator Molecule Type Cast Similarity Search DataLoader RDKit Fingerprint RDKit Fingerprint Table Creator Molecule Type Cast RDKit MoleculeSubstructure Filter

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: a1034818
Created at: 2022-08-16
On NodePit since: 2022-10-12
Last update: 2024-10-04
Created with KNIME version: v4.6.1

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!