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

Contact person

Stefan Verhoeven

Stefan Verhoeven

Netherlands eScience Center
Mail Stefan
AK
Albert J. Kooistra
VU University Amsterdam
Stefan Verhoeven
Stefan Verhoeven
Netherlands eScience Center

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3 mentions, 2 contributors