NFDI4Chem is building an open and FAIR infrastructure for research data management in chemistry. The consortium consists of dedicated data producers and users from university and non-university research, infrastructure institutions and learned societies like the German Chemical Society (GDCh), Bunsen Society and the German Pharmaceutical Society (DPhG). NFDI4Chem intends to represent all disciplines of chemistry in academia. NFDI4Chem’s vision is to digitize all key steps in chemical research to support scientists in their efforts to collect, store, process, analyse, disclose and re-use research data.
Measures to promote Open Science and Research Data Management (RDM) in agreement with the FAIR data principles are fundamental aims of NFDI4Chem to serve the chemistry community with a holistic concept for access to research data. To this end, the overarching objective is to develop and maintain a national research data infrastructure for the research domain of chemistry in Germany, and to enable innovative and easy to use services and novel scientific approaches based on re-use of research data. In the initial phase, NFDI4Chem focuses on data related to molecules and reactions including data for their experimental and theoretical characterisation.
FAIR Research Data Management: Basics for ChemistsThe two-day interactive workshop "FAIR Research Data Management: Basics for Chemists" was and is offered both as an online workshop and as an in_person workshop. In both formats, the present slides were used. The concept integrates theoretical content with practical hands-on activities and discussions to enable participants to get started with a building block of research data management. In the workshop, participants will learn about different tools to help them get started and also to progress. In addition to general content such as the DFG checklist, the building blocks of research data management will be taught in a chemistry-specific way. Participants will learn the basis for FDM with chemistry-specific content. This publication is a set of slides to be used for the workshop and a schedule for the workshop. This can help trainers to plan a workshop. Also included in the table are the learning objectives, which are broken down according to Bloom's taxonomy.
Overview RepositoryA short introduction to the Repository of Chemotion. Recorded at 2. Stammtisch Chemotion (26/02/21) In order to best serve the needs of the whole chemical community, the “Stammtisch” offers space for suggestions and enhancements all around Chemotion. The “Stammtisch” will be held on the last Friday of each month at 2:00 PM (CET)! Interested? Register for the next Stammtisch: https://nfdi4chem.de/index.php/event/...
Ontologies4Spreadsheets with OntoMatonPart 14 of the 2. Ontologies4Chem Workshop – 11./12.10.23 In this 2. workshop we deepened the discussions around the existing chemical ontologies to address questions around the need of being able to recommend them as canonical resources and around how to improve them. We also discussed tools that can be used in an ontology-based research data management context. Details: https://doi.org/10.25798/dd81-f712
The IUPAC Gold Book: A Compendium of Chemical TerminologyThe IUPAC Compendium of Chemical Terminology (the "Gold Book") is an aggregation of the formally defined terms in the International Union of Pure and Applied Chemistry's Recommendations published in the journal of Pure and Applied Chemistry. The talk highlights the status of the Gold Book and the current major update, machine access to the definitions via an API, and the inclusion of these terms in domain ontologies.
NFDI4C* Workshop on synergy & cooperationA short presentationthat was held in the breakout session "ontologies & metadata" of the NFDI4Chem & NFDI4Cat joint workshop.
InChI for Organometallics and InorganicsIntroduction to InChI for Organometallics and Inorganics. It was recorded at the 7. Chemotion/NFDI4Chem Stammtisch (30/07/21) The “Stammtisch” will be held on the last Friday of each month at 2:00 PM (CET)! Interested? Register for the next Stammtisch: https://nfdi4chem.de/index.php/event/...
eNanoMapper Ontology: Updated curation and development workflowsCHEMINF UpdatesPart 5 of the 2. Ontologies4Chem Workshop – 11./12.10.23 In this 2. workshop we deepened the discussions around the existing chemical ontologies to address questions around the need of being able to recommend them as canonical resources and around how to improve them. We also discussed tools that can be used in an ontology-based research data management context. Details: https://doi.org/10.25798/dd81-f712
Research data management with LinkAheadIntroduction by Timm Fitschen, Indiscale It was recorded at the "Stammtisch" on the Electronic Laboratory Notebook and Repository Chemotion (29/09/23) . In order to best serve the needs of the whole chemical community, the “Stammtisch” offers space for suggestions and enhancements all around Research Data Management in Chemistry. The “Stammtisch” will be held on the last Friday of each month at 2:00 PM (CET)! Interested? Register for the next Stammtisch: https://www.nfdi4chem.de/nfdi4chem-st...
Gathering the Landscape of Ontologies for Catalysis ResearchPart 3 of the 2. Ontologies4Chem Workshop – 11./12.10.23 In this 2. workshop we deepened the discussions around the existing chemical ontologies to address questions around the need of being able to recommend them as canonical resources and around how to improve them. We also discussed tools that can be used in an ontology-based research data management context. Details: https://doi.org/10.25798/dd81-f712
Publication Standards in Chemistry and BeyondThis 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.
NFDI4Chem Terminology Service News & UpdatesPart 2 of the 2. Ontologies4Chem Workshop – 11./12.10.23 In this 2. workshop we deepened the discussions around the existing chemical ontologies to address questions around the need of being able to recommend them as canonical resources and around how to improve them. We also discussed tools that can be used in an ontology-based research data management context. Details: https://doi.org/10.25798/dd81-f712
NFDI4Chem Web Seminars - 01. General Concepts and Focus on Electronic Laboratory Notebooks (ELN)In this webinar we present the vision and the planned work packages of the chemistry consortium NFDI4Chem and then focus on the role of Electronic Laboratory Notebooks (ELN). NFDI4Chem aims to digitise all key steps in chemical research. NFDI4Chem supports scientists in their efforts to collect, store, process, analyse, disclose and re-use research data. Measures to promote Open Science and Research Data Management in agreement with the FAIR data principles are fundamental aims of NFDI4Chem to serve the community with a holistic concept for access to research data. To this end, the overarching objective is the development and maintenance of a national research data infrastructure for the research domain of chemistry in Germany, and to enable innovative services and novel scientific approaches based on re-use of research data. NFDI4Chem intends to represent all disciplines of chemistry in academia. We aim to collaborate closely with thematically related consortia. In the initial phase, NFDI4Chem focuses on data related to molecules and reactions including data for their experimental and theoretical characterisation.