|
Diversity Picker
|
|
13
|
473
|
July 15, 2021
|
|
Filtering building blocks containing alkyl bromines and attach with R-group in core structure
|
|
18
|
203
|
July 2, 2021
|
|
R-Group Decomposition not removing At-H fragments
|
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4
|
111
|
June 10, 2021
|
|
How to remove bridged molecules from a large set?
|
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2
|
241
|
June 10, 2021
|
|
Invalid pointer with RDKit From Molecule
|
|
3
|
123
|
May 27, 2021
|
|
[bug] RDkit Knime Linux crashes vs Windows non crashes
|
|
7
|
407
|
April 23, 2021
|
|
RDKit Two Component Reaction .rxn
|
|
1
|
172
|
October 6, 2021
|
|
Geometry optimisation fails with MMFF94
|
|
2
|
363
|
March 7, 2020
|
|
RDKit Substructure Counter doesn't return the right number of matched substructures
|
|
4
|
244
|
March 19, 2021
|
|
Diversity Picker
|
|
5
|
245
|
March 18, 2021
|
|
Error with RDKit Structure Normalizer
|
|
1
|
184
|
September 7, 2021
|
|
rdkit installation
|
|
1
|
419
|
March 6, 2021
|
|
Version 4.2.0 of the RDKit nodes released
|
|
0
|
191
|
March 4, 2021
|
|
RDKit not working on Windows?
|
|
4
|
284
|
March 4, 2021
|
|
Force "IUPAC to RDKit" to use newer OPSIN library?
|
|
3
|
189
|
March 4, 2021
|
|
Support for new MDL Mol format
|
|
5
|
561
|
January 21, 2021
|
|
RDKIT error with KNIME 4.3: Could not load native RDKit library
|
|
4
|
377
|
December 26, 2020
|
|
How to define a peptide bond within a ring, using SMARTS?
|
|
6
|
244
|
December 5, 2020
|
|
sdf mol_file type to rdkit mol type
|
|
12
|
817
|
November 25, 2020
|
|
Salt stripper not keeping salt fragment
|
|
3
|
192
|
November 23, 2020
|
|
RDKIT Installation KNIME 4.2.3
|
|
2
|
286
|
November 16, 2020
|
|
Bioisosteric replacement using SMARTS (KNIME and RDKit)
|
|
5
|
480
|
October 16, 2020
|
|
Taking smiles from pubchem
|
|
1
|
356
|
October 1, 2020
|
|
RDKIT MCS makes KNIME crash
|
|
1
|
209
|
October 1, 2020
|
|
Creating 3D structures for Charged Compounds
|
|
1
|
305
|
September 18, 2020
|
|
Two Component Reaction node + MarvinSketch only works for aryl-aryl coupling
|
|
1
|
315
|
July 31, 2020
|
|
Generating 3D coordinates of compounds with hash and wedge bonds
|
|
2
|
242
|
July 17, 2020
|
|
RDKit + Simple Streaming
|
|
2
|
455
|
June 29, 2020
|
|
R-group Decomposition: Enumerating R-groups in the Core Smarts
|
|
2
|
367
|
June 10, 2020
|
|
Aromatized and Kekulized structures for TPSA calculation
|
|
7
|
382
|
June 10, 2020
|
