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Lhasa metabolite nodes
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3
|
22
|
July 7, 2025
|
|
Pathway Enrichment Analysis
|
|
4
|
52
|
June 23, 2025
|
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RDKit Molecular Extractor crashes on ChEBI data
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2
|
34
|
May 2, 2025
|
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RDKit for molecules: Keep Hs
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2
|
137
|
November 20, 2024
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RDKIT from molecule note does not recognize my smiles codes
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7
|
564
|
August 25, 2024
|
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Filtering 2D
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|
2
|
384
|
July 22, 2024
|
|
Structure-Activity Landscape Index workflow
|
|
1
|
542
|
April 30, 2024
|
|
3D ligand and protein visualization from KNIME 5.x
|
|
3
|
667
|
December 15, 2023
|
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Type mapping for chemistry types in 5.2 available
|
|
1
|
518
|
March 7, 2024
|
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CHEMBL data from InChi Keys input
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4
|
778
|
November 28, 2023
|
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CIR (Chemical Identifier Resolver)
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3
|
631
|
November 2, 2023
|
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ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
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6
|
1036
|
December 5, 2023
|
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Clustering of docked poses
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|
3
|
1280
|
December 4, 2023
|
|
Problems with threshold parameter of RDKit MCS node
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5
|
872
|
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
|
904
|
October 24, 2023
|
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Splitting table in pairs of 2 columns
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3
|
1008
|
September 9, 2023
|
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Tanimoto similarity for pairs of compounds
|
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17
|
3175
|
June 23, 2023
|
|
Cheminformatics Heatmap
|
|
5
|
1530
|
June 21, 2023
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
4
|
1842
|
December 22, 2022
|
|
Automated Matched Pair error
|
|
2
|
1109
|
March 5, 2023
|
|
Peptide reader
|
|
6
|
1898
|
December 2, 2022
|
|
DNA to Protein translator
|
|
7
|
1443
|
December 2, 2022
|
|
3D rmsd of substructure vs larger molecule
|
|
18
|
2960
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
2822
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
1511
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
1200
|
February 27, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
3
|
2154
|
June 23, 2023
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1890
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
1185
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
1183
|
February 3, 2022
|