Hub
Pricing About
WorkflowWorkflow

02_Bioactivity_Prediction_Transform

knime profile image
Draft Latest edits on 
Jan 11, 2017 12:53 PM
Drag & drop
Like
Download workflow
Workflow preview
This workflow is the second one executed by the Model Factory. It removes artifacts and computes chemical fingerprints using RDKit cheminformatics library (http://www.rdkit.org). Input: The input of the node contains the path to the file as loaded by the load workflow ("filePath") along with additional parameters specific for a data set (e.g. assay_id) Output: Include the path to the file for the test data set (filePath_Test) and the Training Data Set ("filePath_Train"). This workflow is part of the model factory eco system. Please refer to our blogpost for further details
Loading deploymentsLoading ad hoc jobs

Used extensions & nodes

Created with KNIME Analytics Platform version 3.6.1
  • Go to item
    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.6.0

    knime profile image
    knime
  • Go to item
    KNIME CoreTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.6.0

    knime profile image
    knime
  • Go to item
    KNIME JSON-ProcessingTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.6.0

    knime profile image
    knime
  • Go to item
    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.6.0

    knime profile image
    knime
  • Go to item
    RDKit KNIME integrationTrusted extension

    NIBR

    Version 3.4.0

    manuelschwarze

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