Hub
Pricing About
WorkflowWorkflow

Vendor database preparation

Real WorldCanvasDatabasePreparationFiltering
+2
schroedinger profile image
Draft Latest edits on 
May 25, 2023 8:46 AM
Drag & drop
Like
Download workflow
Workflow preview
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]
Loading deploymentsLoading ad hoc jobs

Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.0
  • Go to item
    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.0

    knime
  • Go to item
    KNIME CoreTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.1

    knime
  • Go to item
    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.1

    knime
  • Go to item
    Schrödinger Extensions for KNIMETrusted extension

    Schrödinger

    Version 19.4.5

    schroedinger profile image
    schroedinger

Legal

By using or downloading the workflow, you agree to our terms and conditions.

KNIME
Open for Innovation

KNIME AG
Talacker 50
8001 Zurich, Switzerland
  • Software
  • Getting started
  • Documentation
  • Courses + Certification
  • Solutions
  • KNIME Hub
  • KNIME Forum
  • Blog
  • Events
  • Partner
  • Developers
  • KNIME Home
  • Careers
  • Contact us
Download KNIME Analytics Platform Read more about KNIME Business Hub
© 2025 KNIME AG. All rights reserved.
  • Trademarks
  • Imprint
  • Privacy
  • Terms & Conditions
  • Data Processing Agreement
  • Credits