|
Altering the structure of a chemical compound
|
|
4
|
76
|
November 20, 2020
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
66
|
November 13, 2020
|
|
Extracting data from MedChem patent?
|
|
3
|
87
|
November 2, 2020
|
|
Error using CCG node
|
|
1
|
71
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
7
|
320
|
October 14, 2020
|
|
3D rmsd of substructure vs larger molecule
|
|
13
|
163
|
October 14, 2020
|
|
Error in workflow execution with Padel
|
|
3
|
154
|
September 28, 2020
|
|
Similarity search with user defined coefficients
|
|
4
|
150
|
August 7, 2020
|
|
mol2 writer does not encode molecular title
|
|
3
|
166
|
July 27, 2020
|
|
chemical fingerprints in a regression
|
|
8
|
221
|
July 16, 2020
|
|
Highlight and Label R-group decomposition
|
|
1
|
141
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
5
|
211
|
June 28, 2020
|
|
Doubts about pharmacophore features generated by silico-it align-it
|
|
4
|
220
|
June 23, 2020
|
|
Enalos KNIME Nodes are now available
|
|
3
|
307
|
June 22, 2020
|
|
Marvin Sketcher as Editor of a predefined molecule
|
|
4
|
142
|
June 16, 2020
|
|
Struggling with the Similarity Search node
|
|
1
|
247
|
June 3, 2020
|
|
Online course question
|
|
2
|
122
|
May 29, 2020
|
|
Is it possible to do reactions without knowledge of the possible products
|
|
2
|
195
|
November 5, 2020
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
11
|
957
|
April 24, 2020
|
|
Good workflow for optimizing structure geometry?
|
|
6
|
196
|
April 30, 2020
|
|
3D-e-Chem GPCRdb "Item could not be found on GPCRDB server"
|
|
5
|
167
|
April 15, 2020
|
|
Estimation of cell permeability
|
|
1
|
211
|
March 18, 2020
|
|
Binary Scorer v2: Matthews Correlation coefficient and Youden's statistic added
|
|
1
|
196
|
March 10, 2020
|
|
Strange behavior of 3D-e-Chem Pharmacophore from Molecule Node
|
|
5
|
275
|
March 3, 2020
|
|
Chemical Identifier Resolver (CIR) available again
|
|
4
|
645
|
January 28, 2020
|
|
Silicos-it 3D-d-Chem installation failed
|
|
3
|
404
|
January 27, 2020
|
|
Feature request: Remove Empty Rows: Option to remove/retain missing value cells
|
|
19
|
349
|
January 27, 2020
|
|
pharmacophore fingerprints
|
|
2
|
276
|
December 2, 2019
|
|
Fragment molecules to sidechains
|
|
2
|
212
|
November 28, 2019
|
|
Tanimoto similarity for pairs of compounds
|
|
15
|
617
|
November 12, 2019
|
