|
3D rmsd of substructure vs larger molecule
|
|
3
|
50
|
September 17, 2020
|
|
Error in workflow execution with Padel
|
|
2
|
64
|
September 8, 2020
|
|
Similarity search with user defined coefficients
|
|
5
|
125
|
August 7, 2020
|
|
mol2 writer does not encode molecular title
|
|
4
|
131
|
July 27, 2020
|
|
chemical fingerprints in a regression
|
|
9
|
177
|
July 16, 2020
|
|
Highlight and Label R-group decomposition
|
|
2
|
113
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
6
|
129
|
June 28, 2020
|
|
Doubts about pharmacophore features generated by silico-it align-it
|
|
5
|
168
|
June 23, 2020
|
|
Enalos KNIME Nodes are now available
|
|
4
|
265
|
June 22, 2020
|
|
Marvin Sketcher as Editor of a predefined molecule
|
|
5
|
109
|
June 16, 2020
|
|
Struggling with the Similarity Search node
|
|
2
|
224
|
June 3, 2020
|
|
Online course question
|
|
3
|
100
|
May 29, 2020
|
|
Is it possible to do reactions without knowledge of the possible products
|
|
2
|
143
|
May 6, 2020
|
|
Workflow Corruption, KNIME 3.6 & MOE
|
|
12
|
909
|
April 24, 2020
|
|
Good workflow for optimizing structure geometry?
|
|
7
|
171
|
April 30, 2020
|
|
3D-e-Chem GPCRdb "Item could not be found on GPCRDB server"
|
|
6
|
145
|
April 15, 2020
|
|
Estimation of cell permeability
|
|
2
|
172
|
March 18, 2020
|
|
Binary Scorer v2: Matthews Correlation coefficient and Youden's statistic added
|
|
2
|
166
|
March 10, 2020
|
|
Strange behavior of 3D-e-Chem Pharmacophore from Molecule Node
|
|
6
|
236
|
March 3, 2020
|
|
Chemical Identifier Resolver (CIR) available again
|
|
5
|
599
|
January 28, 2020
|
|
Silicos-it 3D-d-Chem installation failed
|
|
4
|
319
|
January 27, 2020
|
|
Feature request: Remove Empty Rows: Option to remove/retain missing value cells
|
|
20
|
297
|
January 27, 2020
|
|
pharmacophore fingerprints
|
|
3
|
243
|
December 2, 2019
|
|
Fragment molecules to sidechains
|
|
3
|
187
|
November 28, 2019
|
|
Tanimoto similarity for pairs of compounds
|
|
16
|
539
|
November 12, 2019
|
|
ArrayIndexOutOfBounds exception on RXN to RInChi node
|
|
6
|
186
|
November 8, 2019
|
|
3D-e-Chem Pharmacophores viewer (Dislplays only the first molecule with pharmacophore)
|
|
5
|
227
|
November 15, 2019
|
|
Workflow to add Hydrogene on SMILES
|
|
2
|
175
|
October 22, 2019
|
|
Column Rename node doesn't convert chemical structures to String
|
|
6
|
405
|
August 24, 2019
|
|
small molecule clustering and linking the online zinc15 database to search similar compounds to cluster representative
|
|
4
|
567
|
February 21, 2020
|
