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]
Workflow
Vendor database preparation
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Created with KNIME Analytics Platform version 4.3.2
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Schrödinger Extensions for KNIME
Schrödinger
Versions 19.4.5, 20.4.119, 20.4.94, 21.4.26
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