|
Pathway Enrichment Analysis
|
|
1
|
28
|
March 3, 2025
|
|
RDKit Molecular Extractor crashes on ChEBI data
|
|
1
|
19
|
February 1, 2025
|
|
RDKit for molecules: Keep Hs
|
|
2
|
133
|
November 20, 2024
|
|
RDKIT from molecule note does not recognize my smiles codes
|
|
7
|
463
|
August 25, 2024
|
|
Filtering 2D
|
|
2
|
378
|
July 22, 2024
|
|
Structure-Activity Landscape Index workflow
|
|
1
|
528
|
April 30, 2024
|
|
3D ligand and protein visualization from KNIME 5.x
|
|
3
|
655
|
December 15, 2023
|
|
Type mapping for chemistry types in 5.2 available
|
|
1
|
511
|
March 7, 2024
|
|
CHEMBL data from InChi Keys input
|
|
4
|
747
|
November 28, 2023
|
|
CIR (Chemical Identifier Resolver)
|
|
3
|
616
|
November 2, 2023
|
|
ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
|
|
6
|
986
|
December 5, 2023
|
|
Clustering of docked poses
|
|
3
|
1233
|
December 4, 2023
|
|
Problems with threshold parameter of RDKit MCS node
|
|
5
|
865
|
October 25, 2023
|
|
Is there a way to assure in Random Forest Predictor, ROC Curves, that the desired parameters appear?
|
|
4
|
897
|
October 24, 2023
|
|
Splitting table in pairs of 2 columns
|
|
3
|
990
|
September 9, 2023
|
|
Tanimoto similarity for pairs of compounds
|
|
17
|
3127
|
June 23, 2023
|
|
Cheminformatics Heatmap
|
|
5
|
1505
|
June 21, 2023
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
4
|
1807
|
December 22, 2022
|
|
Automated Matched Pair error
|
|
2
|
1107
|
March 5, 2023
|
|
Peptide reader
|
|
6
|
1843
|
December 2, 2022
|
|
DNA to Protein translator
|
|
7
|
1395
|
December 2, 2022
|
|
3D rmsd of substructure vs larger molecule
|
|
18
|
2832
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
2712
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
1457
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
1186
|
February 27, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
3
|
2113
|
June 23, 2023
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1856
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
1180
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
1178
|
February 3, 2022
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
14
|
2871
|
June 23, 2023
|