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Get your chemistry right with KNIME
Journal of Cheminformatics volume 5, Article number: F1 (2013)
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.
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Open Access This article is distributed under the terms of the Creative Commons Attribution 2.0 International License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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Meinl, T., Landrum, G. Get your chemistry right with KNIME. J Cheminform 5 (Suppl 1), F1 (2013). https://doi.org/10.1186/1758-2946-5-S1-F1
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DOI: https://doi.org/10.1186/1758-2946-5-S1-F1
Keywords
- Research Group
- Software Engineering
- Data Integration
- Engineering Practice
- Community Contribution