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Filtering 2D
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1
|
59
|
April 23, 2024
|
|
Structure-Activity Landscape Index workflow
|
|
0
|
192
|
January 31, 2024
|
|
3D ligand and protein visualization from KNIME 5.x
|
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3
|
373
|
December 15, 2023
|
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Type mapping for chemistry types in 5.2 available
|
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1
|
275
|
March 7, 2024
|
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CHEMBL data from InChi Keys input
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4
|
357
|
November 28, 2023
|
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CIR (Chemical Identifier Resolver)
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3
|
347
|
November 2, 2023
|
|
ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
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6
|
548
|
December 5, 2023
|
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Clustering of docked poses
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|
3
|
665
|
December 4, 2023
|
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OpenBabel binary inputs?
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5
|
828
|
December 4, 2023
|
|
Problems with threshold parameter of RDKit MCS node
|
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5
|
584
|
October 25, 2023
|
|
Is there a way to assure in Random Forest Predictor, ROC Curves, that the desired parameters appear?
|
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4
|
621
|
October 24, 2023
|
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Splitting table in pairs of 2 columns
|
|
3
|
711
|
September 9, 2023
|
|
Tanimoto similarity for pairs of compounds
|
|
17
|
2587
|
June 23, 2023
|
|
Cheminformatics Heatmap
|
|
5
|
1153
|
June 21, 2023
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
4
|
1468
|
December 22, 2022
|
|
Automated Matched Pair error
|
|
2
|
870
|
March 5, 2023
|
|
Peptide reader
|
|
6
|
1333
|
December 2, 2022
|
|
DNA to Protein translator
|
|
7
|
1086
|
December 2, 2022
|
|
3D rmsd of substructure vs larger molecule
|
|
18
|
2198
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
2024
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
1126
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
927
|
February 27, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
3
|
1833
|
June 23, 2023
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1424
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
934
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
939
|
February 3, 2022
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
14
|
2468
|
June 23, 2023
|
|
mol2 writer does not encode molecular title
|
|
4
|
1361
|
May 20, 2021
|
|
Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
8
|
1426
|
May 5, 2021
|
|
USPTO reaction smiles - yield curation
|
|
1
|
1410
|
April 23, 2021
|