|
KNIME workflow to create RDKit synthon space from SMILES building blocks?
|
|
1
|
10
|
August 29, 2025
|
|
SDF output force a specific format (V2000)
|
|
6
|
22
|
August 27, 2025
|
|
Lhasa metabolite nodes
|
|
4
|
34
|
July 14, 2025
|
|
Pathway Enrichment Analysis
|
|
4
|
53
|
June 23, 2025
|
|
RDKit Molecular Extractor crashes on ChEBI data
|
|
2
|
39
|
May 2, 2025
|
|
RDKit for molecules: Keep Hs
|
|
2
|
138
|
November 20, 2024
|
|
RDKIT from molecule note does not recognize my smiles codes
|
|
7
|
600
|
August 25, 2024
|
|
Filtering 2D
|
|
2
|
385
|
July 22, 2024
|
|
Structure-Activity Landscape Index workflow
|
|
1
|
543
|
April 30, 2024
|
|
3D ligand and protein visualization from KNIME 5.x
|
|
3
|
669
|
December 15, 2023
|
|
Type mapping for chemistry types in 5.2 available
|
|
1
|
518
|
March 7, 2024
|
|
CHEMBL data from InChi Keys input
|
|
4
|
787
|
November 28, 2023
|
|
CIR (Chemical Identifier Resolver)
|
|
3
|
632
|
November 2, 2023
|
|
ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
|
|
6
|
1042
|
December 5, 2023
|
|
Clustering of docked poses
|
|
3
|
1292
|
December 4, 2023
|
|
Problems with threshold parameter of RDKit MCS node
|
|
5
|
873
|
October 25, 2023
|
|
Is there a way to assure in Random Forest Predictor, ROC Curves, that the desired parameters appear?
|
|
4
|
905
|
October 24, 2023
|
|
Splitting table in pairs of 2 columns
|
|
3
|
1011
|
September 9, 2023
|
|
Tanimoto similarity for pairs of compounds
|
|
17
|
3195
|
June 23, 2023
|
|
Cheminformatics Heatmap
|
|
5
|
1537
|
June 21, 2023
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
4
|
1853
|
December 22, 2022
|
|
Automated Matched Pair error
|
|
2
|
1112
|
March 5, 2023
|
|
Peptide reader
|
|
6
|
1918
|
December 2, 2022
|
|
DNA to Protein translator
|
|
7
|
1456
|
December 2, 2022
|
|
3D rmsd of substructure vs larger molecule
|
|
18
|
2975
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
2845
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
1520
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
1214
|
February 27, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
3
|
2158
|
June 23, 2023
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1910
|
September 13, 2021
|