|
Filtering 2D
|
|
0
|
27
|
April 18, 2024
|
|
Structure-Activity Landscape Index workflow
|
|
0
|
181
|
January 31, 2024
|
|
3D ligand and protein visualization from KNIME 5.x
|
|
3
|
364
|
December 15, 2023
|
|
Type mapping for chemistry types in 5.2 available
|
|
1
|
264
|
March 7, 2024
|
|
CHEMBL data from InChi Keys input
|
|
4
|
348
|
November 28, 2023
|
|
CIR (Chemical Identifier Resolver)
|
|
3
|
337
|
November 2, 2023
|
|
ERROR: RDKitAdapterCellValueFactory Python Script: Error when deserializing RDKitMolValue
|
|
6
|
534
|
December 5, 2023
|
|
Clustering of docked poses
|
|
3
|
646
|
December 4, 2023
|
|
OpenBabel binary inputs?
|
|
5
|
815
|
December 4, 2023
|
|
Problems with threshold parameter of RDKit MCS node
|
|
5
|
573
|
October 25, 2023
|
|
Is there a way to assure in Random Forest Predictor, ROC Curves, that the desired parameters appear?
|
|
4
|
607
|
October 24, 2023
|
|
Splitting table in pairs of 2 columns
|
|
3
|
693
|
September 9, 2023
|
|
Tanimoto similarity for pairs of compounds
|
|
17
|
2562
|
June 23, 2023
|
|
Cheminformatics Heatmap
|
|
5
|
1140
|
June 21, 2023
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
4
|
1450
|
December 22, 2022
|
|
Automated Matched Pair error
|
|
2
|
860
|
March 5, 2023
|
|
Peptide reader
|
|
6
|
1315
|
December 2, 2022
|
|
DNA to Protein translator
|
|
7
|
1069
|
December 2, 2022
|
|
3D rmsd of substructure vs larger molecule
|
|
18
|
2179
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
2000
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
1109
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
915
|
February 27, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
3
|
1822
|
June 23, 2023
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1405
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
923
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
930
|
February 3, 2022
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
14
|
2453
|
June 23, 2023
|
|
mol2 writer does not encode molecular title
|
|
4
|
1346
|
May 20, 2021
|
|
Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
8
|
1411
|
May 5, 2021
|
|
USPTO reaction smiles - yield curation
|
|
1
|
1391
|
April 23, 2021
|