Sign in
Ctrl K

KNIME Pharmacophore

A plugin for the KNIME workflow system that adds a Pharmacophore data type and nodes to read, write, and align them.

31
mentions
1
contributor
Get started
116 commitsLast commit ≈ 13 months ago1 star1 fork

Cite this software

DOI:

10.5281/zenodo.997332

What KNIME Pharmacophore can do for you

  • For cheminformations who are working with pharmacphores in KNIME workflows.
  • Adds pharmacophore data type to KNIME
  • Adds nodes to read, write and align pharmacophores

A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological macromolecule. This plugin for the KNIME workflow system adds the Pharmacophore (Phar) data type to KNIME, and adds nodes to read, write, and manipulate pharmacophores inside KNIME. It includes the KNIME Silicos-it, Kripo pharmacophore retrieval and molviewer pharmacophore viewer nodes.

Keywords
Workflow technologies
Programming language
  • Java 100%
License
</>Source code

Participating organisations

Netherlands eScience Center
Radboud University Nijmegen
Vrije Universiteit Amsterdam
Life Sciences
Life Sciences
Natural Sciences & Engineering
Natural Sciences & Engineering

Reference papers

Mentions

Contributors

Stefan Verhoeven
Stefan Verhoeven

Related projects

3D-e-Chem

Efficient exploitation of the massive amount of modern-day life science data

Updated 22 months ago
Finished