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RDKit Salt Stripper/ Add Hs/Coords Generator Nodes Info Request
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3
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655
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July 28, 2022
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Feature request: 'de/select all' in RDKit Functional Group Filter node
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4
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706
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April 21, 2023
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Announcing v4.5 of the RDKit nodes for KNIME
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3
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892
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April 21, 2023
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Adding explicit hydrogens, except on heteroatoms
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2
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665
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April 21, 2023
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Attaching Fragments into two R-groups (R1 and R2) to get all the combinations?
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4
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866
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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
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1465
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January 14, 2022
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RDKit Molecule Substructure filter fails to find any matches
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3
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878
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December 22, 2021
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RDKit Library not loaded: @rpath/libz.1.dylib
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3
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1033
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April 21, 2023
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Diversity Picker
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14
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1751
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April 21, 2023
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R-Group Decomposition not removing At-H fragments
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5
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955
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April 21, 2023
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How to remove bridged molecules from a large set?
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3
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1134
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April 21, 2023
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Invalid pointer with RDKit From Molecule
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3
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788
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May 27, 2021
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[bug] RDkit Knime Linux crashes vs Windows non crashes
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8
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1196
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April 21, 2023
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RDKit Two Component Reaction .rxn
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1
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767
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October 6, 2021
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Geometry optimisation fails with MMFF94
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2
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1217
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March 7, 2020
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RDKit Substructure Counter doesn't return the right number of matched substructures
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5
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1117
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April 21, 2023
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Diversity Picker
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6
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885
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April 21, 2023
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Error with RDKit Structure Normalizer
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1
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700
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September 7, 2021
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rdkit installation
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2
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1396
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April 21, 2023
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Version 4.2.0 of the RDKit nodes released
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1
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893
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April 21, 2023
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RDKit not working on Windows?
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5
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761
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April 21, 2023
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Force "IUPAC to RDKit" to use newer OPSIN library?
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3
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718
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March 4, 2021
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Support for new MDL Mol format
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6
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1348
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April 21, 2023
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RDKIT error with KNIME 4.3: Could not load native RDKit library
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4
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1437
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December 26, 2020
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How to define a peptide bond within a ring, using SMARTS?
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6
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1262
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December 5, 2020
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sdf mol_file type to rdkit mol type
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12
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2895
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November 25, 2020
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Salt stripper not keeping salt fragment
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3
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580
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November 23, 2020
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RDKIT Installation KNIME 4.2.3
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3
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700
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April 21, 2023
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Bioisosteric replacement using SMARTS (KNIME and RDKit)
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6
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2273
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April 21, 2023
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Taking smiles from pubchem
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2
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1130
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April 21, 2023
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