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Attaching Fragments into two R-groups (R1 and R2) to get all the combinations?
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4
|
821
|
April 21, 2023
|
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Filtering building blocks containing alkyl bromines and attach with R-group in core structure
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20
|
1415
|
January 14, 2022
|
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RDKit Molecule Substructure filter fails to find any matches
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3
|
809
|
December 22, 2021
|
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RDKit Library not loaded: @rpath/libz.1.dylib
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3
|
995
|
April 21, 2023
|
|
Diversity Picker
|
|
14
|
1705
|
April 21, 2023
|
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R-Group Decomposition not removing At-H fragments
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5
|
929
|
April 21, 2023
|
|
How to remove bridged molecules from a large set?
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3
|
1085
|
April 21, 2023
|
|
Invalid pointer with RDKit From Molecule
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3
|
772
|
May 27, 2021
|
|
[bug] RDkit Knime Linux crashes vs Windows non crashes
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8
|
1143
|
April 21, 2023
|
|
RDKit Two Component Reaction .rxn
|
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1
|
753
|
October 6, 2021
|
|
Geometry optimisation fails with MMFF94
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2
|
1160
|
March 7, 2020
|
|
RDKit Substructure Counter doesn't return the right number of matched substructures
|
|
5
|
1063
|
April 21, 2023
|
|
Diversity Picker
|
|
6
|
853
|
April 21, 2023
|
|
Error with RDKit Structure Normalizer
|
|
1
|
682
|
September 7, 2021
|
|
rdkit installation
|
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2
|
1338
|
April 21, 2023
|
|
Version 4.2.0 of the RDKit nodes released
|
|
1
|
879
|
April 21, 2023
|
|
RDKit not working on Windows?
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|
5
|
754
|
April 21, 2023
|
|
Force "IUPAC to RDKit" to use newer OPSIN library?
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3
|
706
|
March 4, 2021
|
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Support for new MDL Mol format
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6
|
1275
|
April 21, 2023
|
|
RDKIT error with KNIME 4.3: Could not load native RDKit library
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4
|
1418
|
December 26, 2020
|
|
How to define a peptide bond within a ring, using SMARTS?
|
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6
|
1172
|
December 5, 2020
|
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sdf mol_file type to rdkit mol type
|
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12
|
2748
|
November 25, 2020
|
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Salt stripper not keeping salt fragment
|
|
3
|
563
|
November 23, 2020
|
|
RDKIT Installation KNIME 4.2.3
|
|
3
|
693
|
April 21, 2023
|
|
Bioisosteric replacement using SMARTS (KNIME and RDKit)
|
|
6
|
2148
|
April 21, 2023
|
|
Taking smiles from pubchem
|
|
2
|
1014
|
April 21, 2023
|
|
RDKIT MCS makes KNIME crash
|
|
2
|
535
|
April 21, 2023
|
|
Creating 3D structures for Charged Compounds
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|
2
|
879
|
April 21, 2023
|
|
Two Component Reaction node + MarvinSketch only works for aryl-aryl coupling
|
|
2
|
660
|
April 21, 2023
|
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Generating 3D coordinates of compounds with hash and wedge bonds
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|
3
|
572
|
April 21, 2023
|