Journal:Chemotion ELN: An open-source electronic lab notebook for chemists in academia
| Full article title | Chemotion ELN: An open-source electronic lab notebook for chemists in academia |
|---|---|
| Journal | Journal of Chemoinformatics |
| Author(s) | Tremouilhac, Pierre; Nguyen, An; Huang, Yu-Chieh; Kotov, Serhii; Lütjohann, Dominic Sebastian; Hübsch, Florian; Jung, Nicole; Bräse, Stefan |
| Author affiliation(s) | Karlsruhe Institute of Technology, Cubuslab GmbH, Ninja-Concept GmbH |
| Primary contact | Email: nicole dot jung at kit dot edu |
| Year published | 2017 |
| Volume and issue | 9 |
| Page(s) | 54 |
| DOI | 10.1186/s13321-017-0240-0 |
| ISSN | 1758-2946 |
| Distribution license | Creative Commons Attribution 4.0 International |
| Website | https://jcheminf.springeropen.com/articles/10.1186/s13321-017-0240-0 |
| Download | https://jcheminf.springeropen.com/track/pdf/10.1186/s13321-017-0240-0 (PDF) |
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Abstract
The development of an electronic laboratory notebook (ELN) for researchers working in the field of chemical sciences is presented. The web-based application is available as open-source software that offers modern solutions for chemical researchers. The Chemotion ELN is equipped with the basic functionalities necessary for the acquisition and processing of chemical data, in particular work with molecular structures and calculations based on molecular properties. The ELN supports planning, description, storage, and management for the routine work of organic chemists. It also provides tools for communicating and sharing the recorded research data among colleagues. Meeting the requirements of a state-of-the-art research infrastructure, the ELN allows the search for molecules and reactions not only within the user’s data but also in conventional external sources as provided by SciFinder and PubChem. The presented development makes allowance for the growing dependency of scientific activity on the availability of digital information by providing open- source instruments to record and reuse research data. The current version of the ELN has been used for over half of a year in our chemistry research group, serving as a common infrastructure for chemistry research and enabling chemistry researchers to build their own databases of digital information as a prerequisite for the detailed, systematic investigation and evaluation of chemical reactions and mechanisms.
Keywords: Electronic lab notebook, digitization, open source, Ruby on Rails, compound management
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Notes
This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added. In some cases, the authors directly referenced a citation number; the author and year of the citation was inserted along with the citation for completeness.
