The Repository Chemotion: Infrastructure for Sustainable Research in Chemistry

27 April 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


We describe the development of a repository for chemistry research data (called Chemotion) that provides solutions for current challenges to store research data in a feasible manner, allowing the conservation of domain specific information in a machine readable format. A main advantage of the repository Chemotion is the comprehensive functionality, which offers options to collect, prepare and reuse data using discipline specific methods and data processing tools. For selected analytical data, automated procedures are implemented to facilitate the curation of the data. Chemotion provides functions to facilitate the publishing process of data and the citation of the deposited data. It supports automated Digital Object Identifier (DOI) generation, the comparison of the submissions with PubChem instances, and workflows for peer reviewing of the submissions including embargo settings. The described developments were used to establish a research data infrastructure that is hosted at the Karlsruhe Institute of Technology (KIT), including the necessary storage and support to build a new community-driven repository as a comprehensive alternative to commercial databases.


repository science data
Open source software packages
Open Access Resource
research data management

Supplementary materials

SI chemotion repository ChemRxiv

Supplementary weblinks


Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.