|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
2
|
2206
|
November 13, 2021
|
|
Similarity search, bins and murcko scaffolds
|
|
4
|
1995
|
September 13, 2021
|
|
Identifying endmembers in point data
|
|
1
|
1207
|
August 19, 2021
|
|
Smarts search in 3D or searching patterns in a sphere
|
|
1
|
1212
|
August 5, 2021
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
13
|
3015
|
June 28, 2021
|
|
mol2 writer does not encode molecular title
|
|
4
|
1746
|
May 20, 2021
|
|
Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
|
|
7
|
1842
|
April 28, 2021
|
|
USPTO reaction smiles - yield curation
|
|
1
|
1703
|
April 23, 2021
|
|
Using crystal structure as template for 3D coordinates for new molecules
|
|
2
|
1321
|
April 18, 2021
|
|
Drug molecule similarity extraction from ChEMBL
|
|
1
|
1020
|
April 15, 2021
|
|
¿Como hago une ejecutable (.exe) de un flujo en knime?
|
|
1
|
2075
|
March 31, 2021
|
|
SMARTS Pattern to exclude fused rings but include bridges rings
|
|
2
|
2100
|
March 20, 2021
|
|
Cross validation Q2
|
|
2
|
1816
|
March 15, 2021
|
|
Tanimoto similarity using count-based fingerprints?
|
|
3
|
3680
|
February 27, 2021
|
|
General SMARTS Patterns for any ring size
|
|
4
|
1914
|
February 25, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
4
|
826
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
834
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
1340
|
February 3, 2021
|
|
SMARTS pattern to match rings
|
|
2
|
2051
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
970
|
January 27, 2021
|
|
Online course question
|
|
2
|
873
|
May 29, 2020
|
|
Altering the structure of a chemical compound
|
|
4
|
656
|
November 20, 2020
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
744
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
3
|
1659
|
November 2, 2020
|
|
Error using CCG node
|
|
1
|
490
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
7
|
1147
|
October 14, 2020
|
|
Error in workflow execution with Padel
|
|
3
|
1503
|
September 28, 2020
|
|
Similarity search with user defined coefficients
|
|
3
|
977
|
July 31, 2020
|
|
chemical fingerprints in a regression
|
|
8
|
1580
|
July 16, 2020
|
|
Highlight and Label R-group decomposition
|
|
1
|
524
|
July 8, 2020
|