Chemotion Repository, a Curated Repository for Reaction Information and Analytical Data. Issue 1 (17th September 2020)

• Record Type: Journal Article
• Authors: Tremouilhac, Pierre; Huang, Pei‐Chi; Lin, Chia‐Lin; Huang, Yu‐Chieh; Nguyen, An; Jung, Nicole; Bach, Felix; Bräse, Stefan
• Is Part Of: Chemistry methods. Volume 1:Issue 1(2020)
• Page Start: 8
• Page End: 11
• Publication Date: 2020-09-17
• Subjects: open data -- cheminformatics -- data preservation -- FAIR data -- transparency; Chemistry, Analytic -- Periodicals; 543
• DOI: 10.1002/cmtd.202000034
• Languages: English
• ISSNs: 2628-9725

Abstract

Abstract: For scientific progress, access to information and data is of highest importance. While in the past, scientific results in chemistry were published in most of the cases without original data records, a currently arising cultural change concerning the provision of research data offers new chances for the quality and speed of scientific progress. The repository Chemotion is an infrastructure that was established for chemistry and related disciplines to preserve molecular synthesis and characterization data. The focus of the repository is on data of chemical reactions and processes including the corresponding analytical data such as chromatography or spectroscopy data. The repository provides these data for other scientists to foster their re‐use and to allow a fast reproduction of published work. To achieve this goal, several automated but also peer‐review mechanisms in the repository support the providers with suitably preparing their data. Abstract : The domain specific repository Chemotion preserves research data of chemical syntheses and analytical measurements such as chromatography or spectroscopy data. The repository provides these data for other scientists to foster their re‐use and to allow a fast reproduction of published work. Several automated mechanisms to check the plausibility of the data and a curation workflow support scientists in their effort to provide data of high quality.