|
3D rmsd of substructure vs larger molecule
|
|
18
|
671
|
May 13, 2022
|
|
RDKIT descriptors
|
|
4
|
197
|
March 22, 2022
|
|
Fingerprints export to csv file
|
|
4
|
129
|
March 21, 2022
|
|
Info about a node request
|
|
1
|
136
|
February 27, 2022
|
|
RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
|
|
2
|
423
|
January 4, 2022
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
2
|
818
|
November 13, 2021
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
264
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
2
|
193
|
February 18, 2022
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
2
|
219
|
February 3, 2022
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
13
|
1515
|
June 28, 2021
|
|
mol2 writer does not encode molecular title
|
|
4
|
501
|
May 20, 2021
|
|
Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
8
|
372
|
May 5, 2021
|
|
USPTO reaction smiles - yield curation
|
|
1
|
443
|
April 23, 2021
|
|
Using crystal structure as template for 3D coordinates for new molecules
|
|
3
|
232
|
April 18, 2021
|
|
Drug molecule similarity extraction from ChEMBL
|
|
1
|
242
|
April 15, 2021
|
|
¿Como hago une ejecutable (.exe) de un flujo en knime?
|
|
1
|
524
|
March 31, 2021
|
|
Drug discovery workflow
|
|
4
|
432
|
March 24, 2021
|
|
SMARTS Pattern to exclude fused rings but include bridges rings
|
|
3
|
407
|
March 27, 2021
|
|
Cross validation Q2
|
|
2
|
824
|
March 15, 2021
|
|
Tanimoto similarity using count-based fingerprints?
|
|
3
|
1900
|
February 27, 2021
|
|
General SMARTS Patterns for any ring size
|
|
5
|
301
|
February 25, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
5
|
238
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
213
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
430
|
February 3, 2021
|
|
SMARTS pattern to match rings
|
|
3
|
474
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
419
|
January 27, 2021
|
|
Online course question
|
|
3
|
359
|
January 2, 2021
|
|
Altering the structure of a chemical compound
|
|
5
|
331
|
May 21, 2021
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
291
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
4
|
491
|
May 3, 2021
|
