Chemotion-ELN

Chemotion-ELN is an Open Source lab notebook for chemists in academia. Chemotion-ELN functionalities include functions to acquire chemical data, process chemical data, storage, search for molecules, search for reactions locally and in SciFinder and PubChem, management for organic chemists, planning, storage, description, and sharing.

Topic

Cheminformatics;Data visualisation;Computational chemistry

Detail

  • Operation: Structure visualisation;Structure analysis

  • Software interface: Graphical user interface

  • Language: Javascript;Ruby

  • License: GNU Affero General Public License version 3

  • Cost: Free

  • Version name: 1.2.1

  • Credit: Deutsche Forschungsgemeinschaft and Open Access Publishing Fund of Karlsruhe Institute of Technology, Helmholtz program Biointerfaces in Technology and Medicine (BIFTM).

  • Input: -

  • Output: -

  • Contact: Pierre Tremouilhac pierre.tremouilhac@kit.edu, An Nguyen an.nguyen@kit.edu, Yu-Chieh Huang yu-chieh@kit.edu, Serhii Kotov serhii.kotov@kit.edu, Dominic Sebastian Lütjohann dominic.luetjohann@kit.edu, Florian Hübsch fh@ninjaconcept.com, Nicole Jung nicole.jung@kit.edu, Stefan Bräse stefan.braese@kit.edu

  • Collection: -

  • Maturity: Mature

Publications

  • Chemotion ELN: an Open Source electronic lab notebook for chemists in academia.
  • Tremouilhac P, Nguyen A, Huang YC, Kotov S, Lütjohann DS, Hübsch F, Jung N, Bräse S. Chemotion ELN: an Open Source electronic lab notebook for chemists in academia. J Cheminform. 2017 Sep 25;9(1):54. doi: 10.1186/s13321-017-0240-0. PMID: 29086216; PMCID: PMC5612905.
  • https://doi.org/10.1186/s13321-017-0240-0
  • PMID: 29086216
  • PMC: PMC5612905

Download and documentation

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