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Published June 27, 2019 | Version v1.0.3
Software Open

KNIME pharmacophore nodes

Authors/Creators

  • 1. Netherlands eScience Center
  • 2. Radboud UMC
  • 3. Vrije Universiteit Amsterdam

Description

KNIME plugin with nodes to convert 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. Nodes in this plugin allow for converting pharmacophores, from and to molecules, by mapping elements to pharmacophore type and, reading from or writing to the phar file format used by the Silicos IT align-it tool. This plugin adds the Pharmacophore (Phar) data type to KNIME, allowing nodes to read/write/manipulate pharmacophores inside KNIME like the Silicos-it align-it, Kripo pharmacophore retrieval and molviewer pharmacophore viewer nodes.

Changed

  • Compatible with KNIME 4 #10

Files

3D-e-Chem/knime-pharmacophore-v1.0.3.zip

Files (2.0 MB)

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md5:128237256cc816cfa735a6dcfcc2696f
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Additional details

Related works

Is supplement to
https://github.com/3D-e-Chem/knime-pharmacophore/tree/v1.0.3 (URL)