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KNIME Silicos-it nodes

A node for the KNIME workflow systems that allows you to use the Silicos-it software to filter or align molecules.

1
mention
2
contributors

Cite this software

DOI:

10.5281/zenodo.597793

What KNIME Silicos-it nodes can do for you

  • For cheminformaticians that want to use the Silicos-it software in the KNIME workflow platform
  • A thin wrapper around the Silicos-it software, the node can be configured using dialog instead of command line arguments
  • The Silicos-it shape-it is used to align molecules based on shape and align-it is used to align molecules based on their pharmacophore
  • The Silicos-it binaries come bundled with the KNIME node installation so you don't need to download and compile the Silicos-it software yourself
Keywords
Workflow technologies
Programming language
  • Java 100%
License
  • Apache-2.0
</>Source code

Participating organisations

Netherlands eScience Center
Radboud University Nijmegen
Vrije Universiteit Amsterdam

Mentions

Contributors

AK
Albert J. Kooistra
VU University Amsterdam
Stefan Verhoeven
Stefan Verhoeven

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