KNIME Pharmacophore

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

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104 commits | Last update: July 05, 2018

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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.

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Tags
  • Workflow technologies
Programming Language
  • Java
License
  • Apache-2.0
Source code

Participating organizations

Contributors

  • Stefan Verhoeven
    Netherlands eScience Center
Contact person
Stefan Verhoeven
Netherlands eScience Center