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How to remove bridged molecules from a large set?
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0
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24
|
April 10, 2021
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RDKit Two Component Reaction .rxn
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0
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42
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April 6, 2021
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Geometry optimisation fails with MMFF94
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2
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244
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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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4
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94
|
March 19, 2021
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Diversity Picker
|
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5
|
154
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March 18, 2021
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Error with RDKit Structure Normalizer
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0
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72
|
March 8, 2021
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rdkit installation
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1
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221
|
March 6, 2021
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Version 4.2.0 of the RDKit nodes released
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0
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95
|
March 4, 2021
|
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RDKit not working on Windows?
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4
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191
|
March 4, 2021
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Force "IUPAC to RDKit" to use newer OPSIN library?
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3
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101
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March 4, 2021
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Support for new MDL Mol format
|
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5
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398
|
January 21, 2021
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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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208
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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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158
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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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436
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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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121
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November 23, 2020
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[bug] RDkit Knime Linux crashes vs Windows non crashes
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5
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204
|
November 16, 2020
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RDKIT Installation KNIME 4.2.3
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2
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155
|
November 16, 2020
|
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Bioisosteric replacement using SMARTS (KNIME and RDKit)
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5
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238
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October 16, 2020
|
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Taking smiles from pubchem
|
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1
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205
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October 1, 2020
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RDKIT MCS makes KNIME crash
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1
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124
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October 1, 2020
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Creating 3D structures for Charged Compounds
|
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1
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203
|
September 18, 2020
|
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Two Component Reaction node + MarvinSketch only works for aryl-aryl coupling
|
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1
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235
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July 31, 2020
|
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Generating 3D coordinates of compounds with hash and wedge bonds
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2
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177
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July 17, 2020
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RDKit + Simple Streaming
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2
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383
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June 29, 2020
|
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R-group Decomposition: Enumerating R-groups in the Core Smarts
|
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2
|
240
|
June 10, 2020
|
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Aromatized and Kekulized structures for TPSA calculation
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7
|
232
|
June 10, 2020
|
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Limitations about molecule size for geometry optimization?
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4
|
477
|
May 18, 2020
|
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Smarts string unreadable in Knime
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2
|
188
|
May 17, 2020
|
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RDKit molecule substructure filter
|
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0
|
205
|
May 15, 2020
|
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3D alignment of molecule
|
|
1
|
335
|
May 7, 2020
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