Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry

Stefan Kuhn; Heinz Kolshorn; Christoph Steinbeck; Nils Schlörer

doi:10.1002/mrc.5418

Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry

Magn Reson Chem. 2024 Feb;62(2):74-83. doi: 10.1002/mrc.5418. Epub 2023 Dec 19.

Authors

Stefan Kuhn¹, Heinz Kolshorn², Christoph Steinbeck³, Nils Schlörer⁴

Affiliations

¹ Institute of Computer Science, University of Tartu Tartu Estonia and School of Computer Science and Informatics, De Montfort University, Leicester, UK.
² Department Chemie, Johannes Gutenberg-Universität Mainz, Mainz, Germany.
³ Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-Universität Jena, Jena, Germany.
⁴ NMR-Plattform, Friedrich-Schiller-Universität Jena, Jena, Germany.

PMID: 38112483
DOI: 10.1002/mrc.5418

Abstract

In October 2003, 20 years ago, the open-source and open-content database NMRshiftDB was announced. Since then, the database, renamed as nmrshiftdb2 later, has been continuously available and is one of the longer-running projects in the field of open data in chemistry. After 20 years, we evaluate the success of the project and present lessons learnt for similar projects.

Keywords: NMR; NMR database; chemical data; chemical information; nuclear magnetic resonance.

Abstract

Grants and funding