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RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
2
|
267
|
January 4, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
2
|
713
|
November 13, 2021
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
147
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
1
|
119
|
August 19, 2021
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
1
|
143
|
August 5, 2021
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
13
|
1412
|
June 28, 2021
|
|
mol2 writer does not encode molecular title
|
|
4
|
410
|
May 20, 2021
|
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Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
8
|
208
|
May 5, 2021
|
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USPTO reaction smiles - yield curation
|
|
1
|
256
|
April 23, 2021
|
|
Using crystal structure as template for 3D coordinates for new molecules
|
|
3
|
172
|
April 18, 2021
|
|
Drug molecule similarity extraction from ChEMBL
|
|
1
|
177
|
April 15, 2021
|
|
¿Como hago une ejecutable (.exe) de un flujo en knime?
|
|
1
|
278
|
March 31, 2021
|
|
Drug discovery workflow
|
|
4
|
325
|
March 24, 2021
|
|
SMARTS Pattern to exclude fused rings but include bridges rings
|
|
3
|
232
|
March 27, 2021
|
|
Cross validation Q2
|
|
2
|
711
|
March 15, 2021
|
|
Tanimoto similarity using count-based fingerprints?
|
|
3
|
1646
|
February 27, 2021
|
|
General SMARTS Patterns for any ring size
|
|
5
|
212
|
February 25, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
5
|
194
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
160
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
307
|
February 3, 2021
|
|
SMARTS pattern to match rings
|
|
3
|
292
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
289
|
January 27, 2021
|
|
Online course question
|
|
3
|
310
|
January 2, 2021
|
|
Altering the structure of a chemical compound
|
|
5
|
285
|
May 21, 2021
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
235
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
4
|
383
|
May 3, 2021
|
|
Error using CCG node
|
|
1
|
197
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
7
|
479
|
October 14, 2020
|
|
3D rmsd of substructure vs larger molecule
|
|
13
|
432
|
October 14, 2020
|
|
Error in workflow execution with Padel
|
|
3
|
434
|
September 28, 2020
|
