This article is part of the supplement: 8th German Conference on Chemoinformatics: 26 CIC-Workshop

Open Access Oral presentation

Get your chemistry right with KNIME

Thorsten Meinl1* and Gregory Landrum2

Author Affiliations

1 University of Konstanz, Box 712, D-78457 Konstanz, Germany

2 Novartis Pharma AG, Postfach, CH-4002 Basel, Switzerland

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Journal of Cheminformatics 2013, 5(Suppl 1):F1  doi:10.1186/1758-2946-5-S1-F1


The electronic version of this article is the complete one and can be found online at: http://www.jcheminf.com/content/5/S1/F1


Published:22 March 2013

© 2013 Meinl and Landrum; licensee BioMed Central Ltd.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Oral presentation

KNIME (Konstanz Information Miner, [1]) is a user-friendly and comprehensive open-source data integration, processing, analysis, and exploration platform. From day one, KNIME has been developed using rigorous software engineering practices and is used by professionals in both industry and academia in over 60 countries.

In the presentation we will show some of the new features in KNIME 2.6 and give an outlook to KNIME 2.7. We also present recent developments in the KNIME Community Contributions [2], where research groups can easily provide their KNIME extensions to the community. We will focus on the freely available chemistry extensions - especially RDKit [3] - and demonstrate their usage in real-world workflows.

References

  1. [http://www.knime.org/] webcite

  2. [http://tech.knime.org/community] webcite

  3. [http://www.rdkit.org/] webcite