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RDF file reader/fixer/converter (replace or add-on to Erlwood Reactions File Reader)
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1
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33
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April 29, 2021
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Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
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8
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39
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May 5, 2021
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USPTO reaction smiles - yield curation
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1
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54
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April 23, 2021
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Using crystal structure as template for 3D coordinates for new molecules
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3
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55
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April 18, 2021
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Drug molecule similarity extraction from ChEMBL
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1
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54
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April 15, 2021
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¿Como hago une ejecutable (.exe) de un flujo en knime?
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1
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68
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March 31, 2021
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Drug discovery workflow
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4
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137
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March 24, 2021
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SMARTS Pattern to exclude fused rings but include bridges rings
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3
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92
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March 27, 2021
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Cross validation Q2
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2
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561
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March 15, 2021
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Tanimoto similarity using count-based fingerprints?
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3
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1329
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February 27, 2021
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General SMARTS Patterns for any ring size
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5
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125
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February 25, 2021
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Workflow Corruption, KNIME 3.6 & MOE
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12
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1130
|
February 24, 2021
|
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3D-e-Chem KRIPO-DB nodes issue
|
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5
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131
|
February 15, 2021
|
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Implementation of MTNNGC_ADMET in KNIME
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1
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87
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February 3, 2021
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Generation of Murcko Scaffolds and additional ring assembly fragmentation
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3
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145
|
February 3, 2021
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SMARTS pattern to match rings
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3
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130
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February 3, 2021
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V4.3.0 Changes to file reader node with smiles
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3
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141
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January 27, 2021
|
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Online course question
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3
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235
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January 2, 2021
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Altering the structure of a chemical compound
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4
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168
|
November 20, 2020
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Identifying fragments of a multi-fragment structure
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4
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144
|
November 13, 2020
|
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Extracting data from MedChem patent?
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4
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189
|
May 3, 2021
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Error using CCG node
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1
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134
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October 28, 2020
|
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Input data format for Model Acceptability Criteria node
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7
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396
|
October 14, 2020
|
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3D rmsd of substructure vs larger molecule
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13
|
250
|
October 14, 2020
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Error in workflow execution with Padel
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3
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255
|
September 28, 2020
|
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Similarity search with user defined coefficients
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4
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218
|
August 7, 2020
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mol2 writer does not encode molecular title
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3
|
231
|
July 27, 2020
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chemical fingerprints in a regression
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9
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354
|
January 14, 2021
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Highlight and Label R-group decomposition
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1
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197
|
July 8, 2020
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Identify IUPAC Names from structures
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5
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412
|
June 28, 2020
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