|
chemical fingerprints in a regression
|
|
9
|
316
|
January 14, 2021
|
|
Highlight and Label R-group decomposition
|
|
1
|
184
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
5
|
352
|
June 28, 2020
|
|
Doubts about pharmacophore features generated by silico-it align-it
|
|
4
|
276
|
June 23, 2020
|
|
Enalos KNIME Nodes are now available
|
|
3
|
371
|
June 22, 2020
|
|
Marvin Sketcher as Editor of a predefined molecule
|
|
4
|
202
|
June 16, 2020
|
|
Struggling with the Similarity Search node
|
|
1
|
298
|
June 3, 2020
|
|
Is it possible to do reactions without knowledge of the possible products
|
|
2
|
257
|
November 5, 2020
|
|
Good workflow for optimizing structure geometry?
|
|
6
|
252
|
April 30, 2020
|
|
3D-e-Chem GPCRdb "Item could not be found on GPCRDB server"
|
|
5
|
203
|
April 15, 2020
|
|
Estimation of cell permeability
|
|
1
|
282
|
March 18, 2020
|
|
Binary Scorer v2: Matthews Correlation coefficient and Youden's statistic added
|
|
1
|
248
|
March 10, 2020
|
|
Strange behavior of 3D-e-Chem Pharmacophore from Molecule Node
|
|
5
|
333
|
March 3, 2020
|
|
Chemical Identifier Resolver (CIR) available again
|
|
4
|
777
|
January 28, 2020
|
|
Silicos-it 3D-d-Chem installation failed
|
|
3
|
468
|
January 27, 2020
|
|
Feature request: Remove Empty Rows: Option to remove/retain missing value cells
|
|
19
|
469
|
January 27, 2020
|
|
regarding Regex operation in KNIME
|
|
1
|
220
|
December 15, 2019
|
|
pharmacophore fingerprints
|
|
2
|
341
|
December 2, 2019
|
|
Fragment molecules to sidechains
|
|
2
|
262
|
November 28, 2019
|
|
Tanimoto similarity for pairs of compounds
|
|
15
|
743
|
November 12, 2019
|
|
ArrayIndexOutOfBounds exception on RXN to RInChi node
|
|
5
|
235
|
November 8, 2019
|
|
3D-e-Chem Pharmacophores viewer (Dislplays only the first molecule with pharmacophore)
|
|
4
|
296
|
November 15, 2019
|
|
Workflow to add Hydrogene on SMILES
|
|
1
|
221
|
October 22, 2019
|
|
EMBL Conference: In situ Structural Biology - From Cryo-EM to Integrative Modelling
|
|
0
|
287
|
October 1, 2019
|
|
EMBO | EMBL Symposium: Biological Oscillators: Design, Mechanism, Function
|
|
0
|
187
|
October 1, 2019
|
|
EMBO | EMBL Symposium: Organoids: Modelling Organ Development and Disease in 3D Culture
|
|
0
|
218
|
October 1, 2019
|
|
EMBO | EMBL Symposium: The Neurovascular Interface
|
|
0
|
205
|
October 1, 2019
|
|
EMBO | EMBL Symposium: Defining and Defeating Metastasis
|
|
0
|
241
|
September 27, 2019
|
|
EMBO | EMBL Symposium: Microtubules: From Atoms to Complex Systems
|
|
0
|
262
|
September 27, 2019
|
|
EMBO Workshop: Microglia 2020
|
|
0
|
257
|
September 27, 2019
|
