06_​Find_​Scaffolds_​And_​Sidechains

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Demonstrates use of RDKit functionality to identify the likely scaffold for a set of compounds from a paper and then determine the sidechains from the molecules matching that scaffold. The results are presented using the RDKit's molecular highlighting functionality.

The dataset used in this example workflow was taken from ChEMBL (https://www.ebi.ac.uk/chembl/).

Requirements:
- RDKit Community Nodes

Nodes

• Column Filter1 ×
• File Reader1 ×
• Interactive Table1 ×
• RDKit MCS1 ×
• RDKit Molecule Highlighting1 ×
• Show all 8 nodes

Extensions

• FeatureKNIME Base nodes
• FeatureRDKit Nodes Feature

Links

• No links available