0 ×

Database preparation 1

Workflow

Label compounds from a single vendor. Prepare and filter compounds by various criteria.
[Verson: 4.4 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

Download

Get this workflow from the creator’s website: Link

Nodes

Database preparation 1 consists of the following 30 nodes(s):

Plugins

Database preparation 1 contains nodes provided by the following 5 plugin(s):