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Filtering 2D
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1
|
76
|
April 23, 2024
|
|
Structure-Activity Landscape Index workflow
|
|
1
|
206
|
April 30, 2024
|
|
3D ligand and protein visualization from KNIME 5.x
|
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3
|
387
|
December 15, 2023
|
|
Type mapping for chemistry types in 5.2 available
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1
|
288
|
March 7, 2024
|
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CHEMBL data from InChi Keys input
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4
|
367
|
November 28, 2023
|
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CIR (Chemical Identifier Resolver)
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3
|
357
|
November 2, 2023
|
|
ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
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6
|
558
|
December 5, 2023
|
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Clustering of docked poses
|
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3
|
677
|
December 4, 2023
|
|
OpenBabel binary inputs?
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|
5
|
836
|
December 4, 2023
|
|
Problems with threshold parameter of RDKit MCS node
|
|
5
|
595
|
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
|
632
|
October 24, 2023
|
|
Splitting table in pairs of 2 columns
|
|
3
|
726
|
September 9, 2023
|
|
Tanimoto similarity for pairs of compounds
|
|
17
|
2602
|
June 23, 2023
|
|
Cheminformatics Heatmap
|
|
5
|
1173
|
June 21, 2023
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
4
|
1481
|
December 22, 2022
|
|
Automated Matched Pair error
|
|
2
|
880
|
March 5, 2023
|
|
Peptide reader
|
|
6
|
1349
|
December 2, 2022
|
|
DNA to Protein translator
|
|
7
|
1102
|
December 2, 2022
|
|
3D rmsd of substructure vs larger molecule
|
|
18
|
2224
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
2051
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
1139
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
942
|
February 27, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
3
|
1846
|
June 23, 2023
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1438
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
944
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
949
|
February 3, 2022
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
14
|
2480
|
June 23, 2023
|
|
mol2 writer does not encode molecular title
|
|
4
|
1374
|
May 20, 2021
|
|
Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
8
|
1441
|
May 5, 2021
|
|
USPTO reaction smiles - yield curation
|
|
1
|
1427
|
April 23, 2021
|