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Using crystal structure as template for 3D coordinates for new molecules
|
|
3
|
1145
|
April 18, 2021
|
|
Drug molecule similarity extraction from ChEMBL
|
|
1
|
900
|
April 15, 2021
|
|
¿Como hago une ejecutable (.exe) de un flujo en knime?
|
|
1
|
1739
|
March 31, 2021
|
|
Drug discovery workflow
|
|
4
|
1153
|
March 24, 2021
|
|
SMARTS Pattern to exclude fused rings but include bridges rings
|
|
3
|
1618
|
March 27, 2021
|
|
Cross validation Q2
|
|
3
|
1614
|
June 23, 2023
|
|
Tanimoto similarity using count-based fingerprints?
|
|
4
|
3110
|
June 23, 2023
|
|
General SMARTS Patterns for any ring size
|
|
5
|
1252
|
February 25, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
5
|
658
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
673
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
1033
|
February 3, 2021
|
|
SMARTS pattern to match rings
|
|
3
|
1451
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
804
|
January 27, 2021
|
|
Online course question
|
|
3
|
736
|
January 2, 2021
|
|
Altering the structure of a chemical compound
|
|
5
|
533
|
May 21, 2021
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
549
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
4
|
1207
|
May 3, 2021
|
|
Error using CCG node
|
|
1
|
373
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
8
|
976
|
June 23, 2023
|
|
Error in workflow execution with Padel
|
|
3
|
1151
|
September 28, 2020
|
|
Similarity search with user defined coefficients
|
|
4
|
765
|
August 7, 2020
|
|
chemical fingerprints in a regression
|
|
9
|
1103
|
January 14, 2021
|
|
Highlight and Label R-group decomposition
|
|
1
|
436
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
5
|
1727
|
June 28, 2020
|
|
Doubts about pharmacophore features generated by silico-it align-it
|
|
4
|
1114
|
June 23, 2020
|
|
Enalos KNIME Nodes are now available
|
|
4
|
743
|
June 23, 2023
|
|
Marvin Sketcher as Editor of a predefined molecule
|
|
4
|
692
|
June 16, 2020
|
|
Struggling with the Similarity Search node
|
|
2
|
586
|
June 23, 2023
|
|
Is it possible to do reactions without knowledge of the possible products
|
|
2
|
809
|
November 5, 2020
|
|
Good workflow for optimizing structure geometry?
|
|
6
|
1005
|
April 30, 2020
|