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onsite-demo-exercise

Combine these three data sources in a meaningful fashion, by using Concatenate and Joiner.

Use a Column Filter and remove the column "Assay_result".

Use Molecule Type Cast to correctly parse a SMILES string.

Pull the Clean SMILES Component from the Explorer into the workflow. Configure by double clicking it.

Calculate Descriptors with RDKit Descriptor Calculation: TPSA, SLogP.

Display the Results in a Table View.

part 1
CSV Reader
part 2
CSV Reader
additional properties
CSV Reader

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: Tugrul Kaynak
Created at: 2025-10-08
On NodePit since: 2025-10-09
Last update: 2025-10-30
Created with KNIME version: v5.7.0

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