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Concatenate sdf files
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8
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1922
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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
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2264
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June 23, 2023
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Beginner needs help - SDF data export and descritor calculations
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3
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546
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June 23, 2023
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4th SIG ChemInf Meeting in Cambridge
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1
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399
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June 23, 2023
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Filtered out columns still being written
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2
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486
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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
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449
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June 23, 2023
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SDF File to IUPAC Conversion
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4
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974
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June 23, 2023
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BindingDB_UNIPTROT
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2
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415
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June 23, 2023
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How to use OpenBabel's --unique option in KNIME
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1
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393
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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
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1098
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June 23, 2023
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converting ChemBLID into
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1
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410
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June 23, 2023
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Converting a text file of SMILES to RDKit format.
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4
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2047
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June 23, 2023
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pka calculation of multiple molecules in a row
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4
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856
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June 23, 2023
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JChem 'Split into fragments'
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4
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499
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June 23, 2023
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Crystal structure characterisation
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3
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401
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June 23, 2023
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Vernalis PDB Connector nodes - a warning!
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1
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287
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June 23, 2023
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3rd SIG Cheminf Workshop May 2015
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3
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424
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June 23, 2023
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Call for abstracts - Computational Toxicology symposium
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1
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356
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June 23, 2023
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Reading a .cif file
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2
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655
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June 23, 2023
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Vernalis Matched Molecular Pairs nodes updated
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1
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357
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June 23, 2023
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Rendering of Chemical Strucutres: fixed size but shrink to fit
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11
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532
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June 23, 2023
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Similarity search
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3
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650
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June 23, 2023
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OCHEM Data Exporter - Select "Enter the basket ID" variable
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1
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354
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June 23, 2023
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catch Incorrect AAM
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1
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367
|
June 23, 2023
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Feature request: structures as smiles
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2
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479
|
June 23, 2023
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Marvin Sketch node
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1
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422
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June 23, 2023
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Vernalis Nodes updated
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1
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329
|
June 23, 2023
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BioSolveIT KNIME nodes updated!
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1
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674
|
June 23, 2023
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BioSolveIT KNIME nodes updated!
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1
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355
|
June 23, 2023
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BioSolveIT KNIME nodes updated!
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1
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358
|
June 23, 2023
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