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ERROR Compute LeadIT Docking Execute failed: Cannot read file "knime_container"
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4
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1302
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June 23, 2023
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Clustering by a numerical value
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3
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467
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June 23, 2023
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Non-binary MACCS fingerprint
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2
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596
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June 23, 2023
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Checking Molecules for Undefined Stereochemistry
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2
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1071
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June 23, 2023
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How to extract molecular structures with Knime to prepare correctly datasets?
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3
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763
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June 23, 2023
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SMARTCyp and WhichCyp are now available through the KNIME 3.1 update site
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2
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379
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June 23, 2023
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RDKit Installation
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2
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317
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June 23, 2023
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SmartCyp and WhichCyp nodes (beta version) released
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7
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638
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June 23, 2023
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Cleaning 2D chemical structures
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6
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1461
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June 23, 2023
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similarity search problem & bitstring to string conversion
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4
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530
|
June 23, 2023
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Vernalis Matched Pair nodes
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1
|
313
|
June 23, 2023
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ChEMBLdb Connector - Connexion FAILED
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11
|
774
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June 23, 2023
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Calculation of McGowan volume.
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4
|
1157
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June 23, 2023
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MPA node question
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2
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397
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June 23, 2023
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RDKit Count-based fingerprint
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3
|
691
|
June 23, 2023
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Concatenate sdf files
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8
|
1854
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June 23, 2023
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Workflow for reading SMILES and cleaning compounds for molecule descriptor calculation
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3
|
2192
|
June 23, 2023
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Beginner needs help - SDF data export and descritor calculations
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3
|
530
|
June 23, 2023
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4th SIG ChemInf Meeting in Cambridge
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1
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397
|
June 23, 2023
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Filtered out columns still being written
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2
|
476
|
June 23, 2023
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How to import a SMARTS string from a node generating SMARTS to the RDKit R Group Decomposition node?
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3
|
439
|
June 23, 2023
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SDF File to IUPAC Conversion
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4
|
944
|
June 23, 2023
|
|
BindingDB_UNIPTROT
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2
|
411
|
June 23, 2023
|
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How to use OpenBabel's --unique option in KNIME
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1
|
389
|
June 23, 2023
|
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Count the number of specified chiral carbons using SMARTS & RDKit Substructure Counter Node
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4
|
1063
|
June 23, 2023
|
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converting ChemBLID into
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1
|
404
|
June 23, 2023
|
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Converting a text file of SMILES to RDKit format.
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4
|
2000
|
June 23, 2023
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pka calculation of multiple molecules in a row
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4
|
834
|
June 23, 2023
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JChem 'Split into fragments'
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4
|
496
|
June 23, 2023
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Crystal structure characterisation
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3
|
399
|
June 23, 2023
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