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RDKit for molecules: Keep Hs
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2
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132
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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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386
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August 25, 2024
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Filtering 2D
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2
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378
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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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522
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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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649
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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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511
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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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735
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November 28, 2023
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CIR (Chemical Identifier Resolver)
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3
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614
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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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964
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December 5, 2023
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Clustering of docked poses
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3
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1170
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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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860
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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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890
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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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985
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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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3093
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June 23, 2023
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Cheminformatics Heatmap
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5
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1491
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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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1784
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December 22, 2022
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Automated Matched Pair error
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2
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1106
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March 5, 2023
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Peptide reader
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6
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1806
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December 2, 2022
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DNA to Protein translator
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7
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1384
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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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2810
|
May 13, 2022
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RDKIT descriptors
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4
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2641
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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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1439
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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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1185
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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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2110
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June 23, 2023
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Similarity search, bins and murcko scaffolds
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4
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1841
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September 13, 2021
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Identifying endmembers in point data
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2
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1180
|
February 18, 2022
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Smarts search in 3D or searching patterns in a sphere
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2
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1177
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February 3, 2022
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Workflow Corruption, KNIME 3.6 & MOE
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14
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2870
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June 23, 2023
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mol2 writer does not encode molecular title
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4
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1686
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May 20, 2021
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Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
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8
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1730
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May 5, 2021
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