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Database preparation 1

Vendor database preparation

Label compounds from a single vendor. Prepare and filter compounds by various criteria.
Based on: Clark, D.E.; Higgs, C.; Wren, S.P.; Dyke, H.J.; Wong, M.; Norman, D.; Lockey, P.M.; Roach, A.G. J. Med. Chem., 2004, 47, 3962.

[Requires: Canvas] [Keywords: database, preparation, filtering, descriptors, desalt]

Vendor database preparation:Label compounds from a single vendor. Prepare and filter compounds by various criteria.Based on: Clark, D.E.; Higgs, C.; Wren, S.P.; Dyke, H.J.; Wong, M.; Norman, D.; Lockey, P.M.; Roach, A.G. J. Med. Chem., 2004, 47, 3962.[Requires: Canvas] [Keywords: database, preparation, filtering, descriptors, desalt]ID Field choiceClean-up setSalt listNeutralize and desaltPrefixed unique IDs[configurable]Vendor SD Extract Properties MAE-to-Smiles Table Viewer Table Viewer SDF Reader Molecule-to-MAE Vendor database preparation:Label compounds from a single vendor. Prepare and filter compounds by various criteria.Based on: Clark, D.E.; Higgs, C.; Wren, S.P.; Dyke, H.J.; Wong, M.; Norman, D.; Lockey, P.M.; Roach, A.G. J. Med. Chem., 2004, 47, 3962.[Requires: Canvas] [Keywords: database, preparation, filtering, descriptors, desalt]ID Field choiceClean-up setSalt listNeutralize and desaltPrefixed unique IDs[configurable]Vendor SD Extract Properties MAE-to-Smiles Table Viewer Table Viewer SDF Reader Molecule-to-MAE

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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On NodePit since: 2020-08-12
Last update: 2024-11-18
Created with KNIME version: v4.1.0
Tags: Real WorldCanvasDatabasePreparationFilteringDescriptorsDesalt

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