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KNIME workflow to create RDKit synthon space from SMILES building blocks?
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8
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88
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October 30, 2025
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Drug discovery workflow
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5
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1337
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October 4, 2025
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SDF output force a specific format (V2000)
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7
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33
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August 27, 2025
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Lhasa metabolite nodes
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4
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38
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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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41
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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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142
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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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636
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August 25, 2024
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Filtering 2D
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2
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387
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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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553
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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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676
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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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523
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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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797
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November 28, 2023
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CIR (Chemical Identifier Resolver)
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3
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635
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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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1055
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December 5, 2023
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Clustering of docked poses
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3
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1315
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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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875
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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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910
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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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1025
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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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3217
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June 23, 2023
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Cheminformatics Heatmap
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5
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1545
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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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1866
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December 22, 2022
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Automated Matched Pair error
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2
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1113
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March 5, 2023
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Peptide reader
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6
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1927
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December 2, 2022
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DNA to Protein translator
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7
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1471
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December 2, 2022
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3D rmsd of substructure vs larger molecule
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18
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2994
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May 13, 2022
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RDKIT descriptors
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4
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2870
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March 22, 2022
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Fingerprints export to csv file
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4
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1524
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March 21, 2022
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Info about a node request
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1
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1216
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February 27, 2022
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Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
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3
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2166
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June 23, 2023
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