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KNIME workflow to create RDKit synthon space from SMILES building blocks?
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5
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40
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September 16, 2025
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SDF output force a specific format (V2000)
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6
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24
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August 27, 2025
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Lhasa metabolite nodes
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4
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35
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July 14, 2025
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Pathway Enrichment Analysis
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4
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53
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June 23, 2025
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RDKit Molecular Extractor crashes on ChEBI data
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2
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39
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May 2, 2025
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RDKit for molecules: Keep Hs
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2
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141
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November 20, 2024
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RDKIT from molecule note does not recognize my smiles codes
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7
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603
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August 25, 2024
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Filtering 2D
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2
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385
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July 22, 2024
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Structure-Activity Landscape Index workflow
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1
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544
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April 30, 2024
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3D ligand and protein visualization from KNIME 5.x
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3
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670
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December 15, 2023
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Type mapping for chemistry types in 5.2 available
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1
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518
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March 7, 2024
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CHEMBL data from InChi Keys input
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4
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790
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November 28, 2023
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CIR (Chemical Identifier Resolver)
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3
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633
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November 2, 2023
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ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
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6
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1048
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December 5, 2023
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Clustering of docked poses
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3
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1296
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December 4, 2023
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Problems with threshold parameter of RDKit MCS node
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5
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873
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October 25, 2023
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Is there a way to assure in Random Forest Predictor, ROC Curves, that the desired parameters appear?
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4
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906
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October 24, 2023
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Splitting table in pairs of 2 columns
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3
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1014
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September 9, 2023
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Tanimoto similarity for pairs of compounds
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17
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3200
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June 23, 2023
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Cheminformatics Heatmap
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5
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1538
|
June 21, 2023
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RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
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4
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1855
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December 22, 2022
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Automated Matched Pair error
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2
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1112
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March 5, 2023
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Peptide reader
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6
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1923
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December 2, 2022
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DNA to Protein translator
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7
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1457
|
December 2, 2022
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3D rmsd of substructure vs larger molecule
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18
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2979
|
May 13, 2022
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RDKIT descriptors
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4
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2847
|
March 22, 2022
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Fingerprints export to csv file
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4
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1521
|
March 21, 2022
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Info about a node request
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1
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1214
|
February 27, 2022
|
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Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
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3
|
2159
|
June 23, 2023
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Similarity search, bins and murcko scaffolds
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4
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1914
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September 13, 2021
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