Chemotion ELN

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Chemotion ELN
Original author(s) Stefan Braese, Nicole Jung, Serhii Kotov, Pierre Tremouilhac
Developer(s) Karlsruhe Institute of Technology
Initial release May 31, 2016 (2016-05-31) (0.1.0)[1]
Stable release

0.3.0  (November 17, 2017; 6 months ago (2017-11-17))

[±]
Written in Ruby, JavaScript, CSS, and HTML
Operating system platform-independent
Type Laboratory informatics software
License(s) GNU Affero General Public License v3.0
Website chemotion.net

Chemotion ELN is an open-source electronic laboratory notebook (ELN) "or researchers working in the field of chemical sciences."[2] The project has been funded since 2015 by by the German Research Foundation (Deutsche Forschungsgemeinschaft or DFG).[3]

Product history

The Chemotion ELN project was initiated to replace a basic ELN (dial-a-device project) programmed at the Karlsruhe Institute of Technology by Dominic Lütjohann from 2012 through 2014.[4][5] Chemotion's code base is being developed by members of the Stefan Bräse group (ComPlat) at the Karlsruhe Institute of Technology (KIT)[5] and NinjaConcept GmbH (Karlsruhe).[2] In June 2015, Florian Hübsch of NinjaConcept uploaded the first initial commits to the Chemotion ELN project on GitHub.[6]

An initial 0.1.0 release was uploaded to GitHub on May 31, 2016, followed by a 0.2.0 release in October.[1] A journal article concerning the system was published in September 2017[2]. Updates to the code appear to be ongoing, with a 0.3.0 update arriving in mid-November 2017, including an update to the reporting UI and the sample/reaction UI.[1]

Features

Features of Chemotion ELN include[2]:

  • processing of molecules and reactions
  • sample and reaction tracking
  • barcode support
  • chemical drawing tools
  • project and experiment planning
  • query tools
  • data sharing tools
  • data import and export (Excel and sd)

Hardware/software requirements

Docker and docker-compose are used for the easiest installation, though Chemotion ELN can be installed (though more complicated) without Docker. Consult the documentation (PDF) included with the developer's journal article.

Videos, screenshots, and other media

Entities using Chemotion ELN

Karlsruhe Institute of Technology

Further reading

  • Tremouilhac, P.; Nguyen, A.; Huang, Y.-C. et al. (2017). "Chemotion ELN: An open source electronic lab notebook for chemists in academia". Journal of Cheminformatics 9: 54. doi:10.1186/s13321-017-0240-0. 

External links

References

  1. 1.0 1.1 1.2 "Chemotion ELN - Releases". Chemotion ELN. GitHub, Inc. https://github.com/ComPlat/chemotion_ELN/releases. Retrieved 06 October 2017. 
  2. 2.0 2.1 2.2 2.3 Tremouilhac, P.; Nguyen, A.; Huang, Y.-C. et al. (2017). "Chemotion ELN: An open source electronic lab notebook for chemists in academia". Journal of Cheminformatics 9: 54. doi:10.1186/s13321-017-0240-0. 
  3. "Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 266379491". Deutsche Forschungsgemeinschaft. 2015. http://gepris.dfg.de/gepris/projekt/266379491. Retrieved 04 December 2017. 
  4. Lütjohann, D.S.; Jung, N.; Bräse, S. (2015). "Open source life science automation: Design of experiments and data acquisition via “dial-a-device”". Chemometrics and Intelligent Laboratory Systems 144: 100–107. doi:10.1016/j.chemolab.2015.04.002. 
  5. 5.0 5.1 Lütjohann, D.; Jung, N.; Tremouilhac,P. et al. (28 November 2014). "Labormanagement: Wenn Analysegeräte sprechen lernen…". GIT Laborportal. John Wiley & Sons. http://www.git-labor.de/forschung/informationstechnologie-it/labormanagement-wenn-analysegeraete-sprechen-lernen. Retrieved 04 December 2017. 
  6. "Initial commit". Chemotion ELN. GitHub, Inc. 16 June 2015. https://github.com/ComPlat/chemotion_ELN/commit/451d680aba8e993ac4402706b3d33579c1ecb1ea. Retrieved 06 October 2017.