Hub
Pricing About
NodeNode / Manipulator

RDKit Molecule Substructure Filter

Community NodesRDKitSearching
Drag & drop
Like

Applies a substructure filter to an input RDKit Mol column. The patterns are given as SMARTS, SMILES, SDF or RDKit molecules in the second input table. You can choose either a minimum number of patterns to match or to require that all match.

Node details

Input ports
  1. Type: Table
    Molecules
    Table with RDKit molecules
  2. Type: Table
    Query Molecules
    Table with SMARTS, SMILES, SDF or RDKit Mol molecules to use as queries
Output ports
  1. Type: Table
    Molecules matching filter
    Molecules matching the substructure query
  2. Type: Table
    Molecules not matching filter
    Molecules not matching the substructure query

Extension

The RDKit Molecule Substructure Filter node is part of this extension:

  1. Go to item

Related workflows & nodes

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
© 2026 KNIME AG. All rights reserved.
  • Trademarks
  • Imprint
  • Privacy
  • Terms & Conditions
  • Data Processing Agreement
  • Credits