|
Tanimoto similarity using count-based fingerprints?
|
|
3
|
1196
|
February 27, 2021
|
|
General SMARTS Patterns for any ring size
|
|
4
|
64
|
February 25, 2021
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
12
|
1048
|
February 24, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
5
|
95
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
64
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
107
|
February 3, 2021
|
|
SMARTS pattern to match rings
|
|
3
|
66
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
114
|
January 27, 2021
|
|
Online course question
|
|
3
|
216
|
January 2, 2021
|
|
Altering the structure of a chemical compound
|
|
4
|
149
|
November 20, 2020
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
128
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
3
|
152
|
November 2, 2020
|
|
Error using CCG node
|
|
1
|
117
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
7
|
372
|
October 14, 2020
|
|
3D rmsd of substructure vs larger molecule
|
|
13
|
222
|
October 14, 2020
|
|
Error in workflow execution with Padel
|
|
3
|
225
|
September 28, 2020
|
|
Similarity search with user defined coefficients
|
|
4
|
193
|
August 7, 2020
|
|
mol2 writer does not encode molecular title
|
|
3
|
212
|
July 27, 2020
|
|
chemical fingerprints in a regression
|
|
9
|
318
|
January 14, 2021
|
|
Highlight and Label R-group decomposition
|
|
1
|
185
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
5
|
356
|
June 28, 2020
|
|
Doubts about pharmacophore features generated by silico-it align-it
|
|
4
|
277
|
June 23, 2020
|
|
Enalos KNIME Nodes are now available
|
|
3
|
372
|
June 22, 2020
|
|
Marvin Sketcher as Editor of a predefined molecule
|
|
4
|
206
|
June 16, 2020
|
|
Struggling with the Similarity Search node
|
|
1
|
299
|
June 3, 2020
|
|
Is it possible to do reactions without knowledge of the possible products
|
|
2
|
262
|
November 5, 2020
|
|
Good workflow for optimizing structure geometry?
|
|
6
|
254
|
April 30, 2020
|
|
3D-e-Chem GPCRdb "Item could not be found on GPCRDB server"
|
|
5
|
204
|
April 15, 2020
|
|
Estimation of cell permeability
|
|
1
|
283
|
March 18, 2020
|
|
Binary Scorer v2: Matthews Correlation coefficient and Youden's statistic added
|
|
1
|
250
|
March 10, 2020
|
