This poster aims to outline NFDI4Chem’s efforts on Publication Standards, while fostering exchange on similar work beyond the realm of chemistry. We present results of our most recent pilot with a scientific publisher connected to past but ongoing work involving (1) the Editors4Chem Workshop, (2) a wide-scale study on how journals’ author guidelines support FAIR and open sciences practices, and (3) the work in pilot projects to enhance the appreciation of data publications and to support data publishing by researchers through the publishers’ manuscript submission processes. This pilot aims to improve how journals link articles to their respective datasets at a technical (metadata) level (F2, I3). Based on these aspects, we also aim to initiate cross-consortia collaborations with our poster at CoRDI to identify opportunities for cross-disciplinary knowledge transfer on domain-independent aspects of publication standards.
1st Editors4Chem Workshop: Chemistry Journals Author Guidelines Viewed from the Perspective of Research Data PublishingNFDI4Chem together with Leah McEwen (Cornell University, Ithaca) and Vincent Scalfani (University of Alabama, Tuscaloosa) from IUPAC organised the 1st Editors4Chem workshop, which was held on the 3rd November 2021.
This workshop is part of the holistic strategy in NFDI4Chem to ramp up the adoption of FAIR data in chemistry by interfacing with the scholarly publication processes. The importance of this topic to the publishers is demonstrated by the fact that no less than 18 editors (including many Editors-in-Chief!) representing at least 25 chemistry journals across five publishers signed up for this three hour workshop.
This Zenodo record contains the slides of the presentation given by Tillmann G. Fischer (NFDI4Chem, IPB Halle), who presented the evaluation of roughly 50 author guidelines in a Team with Claudia Blankenburg (NFDI4Chem, IPB Halle) and Nicole Parks (NFDI4Chem, RWTH Aachen) und supervision of Steffen Neumann (NFDI4Chem, IPB Halle). Some findings were to be expected, like the broad recommendation to use DOIs to refer to publications and datasets. But also unexpected findings were encountered. Roughly 80% of the checked author guidelines do not point authors on the concept of field-specific research data repositories. Additionally, ~50% do not mention anything on a Data Availability Statement. Only one journal explicitly recommended the SMILES notation to describe chemical structures in a machine-readable way, even in the straightforward case of organic compounds and biochemistry. Recommendations on Minimum Information standards or open analytical data formats were only rarely encountered.
2nd Editors4Chem Workshop: Publication Standards and Resources on Data Publishing provided by NFDI4ChemNFDI4Chem, together with Leah McEwen (Cornell University Library) from IUPAC, organised the 2nd Editors4Chem Workshop, which was held online via Zoom on November 2nd 2023.
This workshop is part of the holistic strategy of NFDI4Chem to increase the uptake of FAIR data publishing in chemistry by interfacing with the academic publishers. The importance of this topic to publishers was demonstrated by the fact that no fewer than 14 editors, representing 9 publishers active in chemistry, attended the three-hour workshop.
This Zenodo record contains the slides of the presentation given by Nicole Parks (NFDI4Chem, ITC-RWTH Aachen) and Tillmann G. Fischer (NFDI4Chem, IPB Halle) in the second block of that workshop, who presented resources for publishers provided by NFDI4Chem in the NFDI4Chem Knowledge Base.
Author guidelines in chemistry through the lens of research data sharingNFDI4Chem’s vision is the digitalisation of all key steps in chemical research to support scientists in their efforts to collect, store, process, analyse, publish, and re-use research data. For that goal, we aim at making chemical research data FAIR (Findable, Accessible, Interoperable, Reusable).
As the primary method of communicating research results, journals and their author guidelines have a tremendous impact on community behavior. To work with scientific journal editors to enhance recommendations on data publication, we organised the Editors4Chem workshop in 2021. The 2nd Editors4Chem workshop will be held in the fall of 2023. Additionally, we analysed author guidelines from several publishers and journals active in chemistry research.
This poster outlines the results of a large-scale analysis of author guidelines: To which extent is the publishing landscape supporting FAIR Data and Open Science practices? In which areas is this support lacking and what are the underlying reasons? How should authors navigate these changes?
Chemotion ELN Instruction VideosChemotion ELN Instruction Videos Chemotion[1] is an open source system for storing and managing experiments and molecular data in chemistry and its related sciences. The system mainly consists of two components: the electronic laboratory notebook (ELN) Chemotion ELN[2] for recording and evaluating experiments and their analytical data, and the Chemotion repository[3,4] for publishing these data. As the ELN is linked to the repository, entries can be easily transferred from the lab journal to the repository. Data, including their machine-readable metadata, are published in the repository under open access conditions and thus fulfill the FAIR data principles (findable, accessible, interoperable, reusable).[5] These principles serve as a foundation for sustainable data management within the framework of good scientific practice.[6] For the use of Chemotion and to explain its basic functions, we created explanatory videos to help newcomers getting started with the ELN. These videos cover important topics from creating molecules, to evaluating analytic data, to sharing entries. The videos are divided into different topic blocks and deal in each case with specific functions. The structure of the topic blocks and videos is provided in the PDF document in this Zenodo entry. Please note that entries with a gray background in this document will only be available in later versions of the Zenodo entry. Chemotion ELN Instruction Videos on YouTube Find the instruction videos additionally on Chemotion's YouTube channel: https://www.youtube.com/playlist?list=PL1AonKd9WAd8cDjzXGiNu0ndoctNu0izs Acknowledgement First and foremost, the authors would like to thank Nicole Parks for recording the English audio tracks. The authors are grateful to Nicole Jung for further explanations of Chemotion's features and help in creating and revising the videos. Furthermore, the authors would like to thank Anna Manukânc for her help with the conceptual development of the videos. Literature [1] Chemotion. https://chemotion.net/ (accessed 02/19/2023). [2] Tremouilhac, P., Nguyen, A., Huang, Y.-C., Kotov, S., Lütjohann, D. S., Hübsch, F., Jung, N., Bräse, S., J. Cheminform. 2017, 9, 54. [3] Tremouilhac, P., Lin, C.-L., Huang, P.-C., Huang, Y.-C., Nguyen, A., Jung, N., Bach, F., Ulrich, R., Neumair, B., Streit, A., Bräse, S., Angew. Chem. Int. Ed. 2020, 59, 22771-22778; Angew. Chem. 2020, 132, 22960-22968. [4] Tremouilhac, P., Huang, P.-C., Lin, C.-L., Huang, Y.-C., Nguyen, A., Jung, N., Bach, F., Bräse, S., Chemistry–Methods 2021, 1, 8-11. [5] Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., Blomberg, N., Boiten, J.-W., da Silva Santos, L. B., Bourne, P. E., Bouwman, J., Brookes, A. J., Clark, T., Crosas, M., Dillo, I., Dumon, O., Edmunds, S., Evelo, C. T., Finkers, R., Gonzalez-Beltran, A., Gray, A. J. G., Groth, P., Goble, C., Grethe, J. S., Heringa, J., ’t Hoen, P. A. C., Hooft, R., Kuhn, T., Kok, R., Kok, J., Lusher, S. J., Martone, M. E., Mons, A., Packer, A. L., Persson, B., Rocca-Serra, P., Roos, M., van Schaik, R., Sansone, S.-A., Schultes, E., Sengstag, T., Slater, T., Strawn, G., Swertz, M. A., Thompson, M., van der Lei, J., van Mulligen, E., Velterop, J., Waagmeester, A., Wittenburg, P., Wolstencroft, K., Zhao, J., Mons, B., Sci. Data 2016, 3, 160018. [6] Deutsche Forschungsgemeinschaft. Guidelines for Safeguarding Good Research Practice. Code of Conduct. 2019, https://doi.org/10.5281/zenodo.3923602 [Titel anhand dieser DOI in Citavi-Projekt übernehmen] . Useful Links Chemotion. https://chemotion.net/ (accessed 02/19/2023). Chemotion ELN Documentation. https://chemotion.net/docs/eln/ (accessed 02/19/2023). Chemotion Repository. https://www.chemotion-repository.net/welcome (accessed 02/13/2023). Molecule Archive of the Compound Platform. https://compound-platform.eu/home (accessed 02/13/2023).
The landscape of author guidelines in chemistry in 2022 through the lens of research data sharingMomentum is building across the scholarly research ecosystem internationally to increase the sharing of data along with other research outputs, in particular to make more research data available that are FAIR (Findable, Accessible, Interoperable, Reusable).
As the primary method of communicating research results, journals and their author guidelines have a tremendous impact on community behavior. Reviewing practices related to sharing data that appear in author guidelines across a broad range of journals was the subject of a recent study conducted under NFDI4Chem, a national research data infrastructure project in Germany. NFDI4Chem is developing approaches to digitalisation of key steps in chemical research to support scientists in their efforts to collect, store, process, analyze, publish, and re-use research data.
A broad range of criteria involving data, metadata and associated articles are considered relative to their potential to impact the FAIR data principles. This review updates and expands on work developed for workshops in CINF during 2017-2019 that focused on sharing chemical structures and characterization data. Further work with scientific journal editors to enhance recommendations on data publication was initiated with an Editors4Chem workshop in 2021, and planning is underway for a second Editors4Chem workshop to be held in the fall of 2023.
In this talk we will further present on the results of the author guidelines review: To which extent is the publishing landscape supporting FAIR Data and Open Science practices? In which areas is this support lacking and what might be underlying reasons? How can authors navigate these changes?
ELN Material Collection - Legal Aspects: Personalrat (English: Staff Council)It's best to transparently cooperate with the staff council at the very beginning of the process of acquiring an ELN.The topic of work tracking is central for ELNs with respect to the Staff Council. Time stamp visibility varies depending on the ELN, while solutions such as eLabFTW are very transparent in this regard. As such, changes made to experiments or entities in general within the ELN are documented with a time stamp and are visible to other members of the team, depending on the individual settings of the entity (see below). It is important to be clear with users that these time stamps do not serve as a method of tracking employees' work. The terms of use should also mention that this is not permissable.Furthermore, a team admin policy can help in clarifying rights, roles, and use of the ELN and may be required by the staff council.The following can aid in communicating these aspects with the work council before implementing the software.