A5076063833- Research Data Management Practices
- Scientific Computing and Data Management
- Biomedical Text Mining and Ontologies
- Metabolomics and Mass Spectrometry Studies
- Semantic Web and Ontologies
- Analytical Chemistry and Chromatography
- Environmental Monitoring and Data Management
- Water Quality Monitoring and Analysis
- Sentiment Analysis and Opinion Mining
- Innovative Microfluidic and Catalytic Techniques Innovation
- Geochemistry and Geologic Mapping
- Genetics, Bioinformatics, and Biomedical Research
- Water Quality and Pollution Assessment
- Computational Drug Discovery Methods
- Data Quality and Management
- Chemistry and Chemical Engineering
- Health, Environment, Cognitive Aging
Karlsruhe Institute of Technology
2020-2025
RWTH Aachen University
2024
National Yang Ming Chiao Tung University
2024
Leibniz Institute of Plant Biochemistry
2024
Johannes Gutenberg University Mainz
2024
Friedrich Schiller University Jena
2024
Technische Universität Braunschweig
2024
FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
2024
Technische Informationsbibliothek (TIB)
2024
The repository Chemotion provides solutions for current challenges to store research data in a feasible manner. A main advantage of is the comprehensive functionality, offering options collect, prepare, and reuse with discipline-specific methods data-processing tools.
A method for data review in chemical sciences with a focus on the characterization of synthetic molecules is described. As current procedures curation chemistry rely almost exclusively manual checking or peer reviewing, (semi-)automatic procedure evaluation assigned to molecular structures proposed and demonstrated. The information usually required identification isolated compounds used clarify whether complete respect available types metadata, if it consistent structure plausible comparison...
Abstract Results of scientific work in chemistry can usually be obtained the form materials and data. A big step towards transparency reproducibility gained if scientists publish their data research repositories a FAIR manner. Nevertheless, order to make sustainable discipline, obtaining is insufficient comprehensive concept that includes preservation needed. In offer infrastructure find access were generated projects, we combined Chemotion repository with an archive for chemical compounds....
Analytical data in chemistry and other disciplines is usually generated different formats lacks common metadata standards that are necessary for a FAIR handling of research data. In the work presented herein, we describe workflow uses non-standardized, some cases proprietary, from cyclic voltammetry measurements coming individual devices as an instructive example, to yield open, standardized annotated with rich metadata. The includes concepts, software infrastructure can be used support...
A method for data review in chemical sciences with a focus on the characterization of synthetic molecules is described. As current procedures curation chemistry rely almost exclusively manual checking or peer reviewing, (semi-)automatic procedure evaluation assigned to molecular structures proposed and demonstrated. The information usually required identification isolated compounds used clarify whether complete respect available types metadata, if it consistent structure plausible comparison...
Abstract For scientific progress, access to information and data is of highest importance. While in the past, results chemistry were published most cases without original records, a currently arising cultural change concerning provision research offers new chances for quality speed progress. The repository Chemotion an infrastructure that was established related disciplines preserve molecular synthesis characterization data. focus on chemical reactions processes including corresponding...
Results of scientific work in chemistry can usually be obtained the form materials and data. A big step towards transparency reproducibility gained if scientists publish their data a FAIR (Findable, Accessible, Interoperable, Reusable) manner research repositories. Nevertheless, order to make as discipline sustainable, obtaining is insufficient comprehensive concept including preservation needed. We describe this article how we combined two infrastructures, repository for (Chemotion...
The progress of the DFG-funded NFDI4Chem consortium (NFDI 4/1 - project number 441958208) in data management chemistry is outlined our latest report, highlighting steps we have taken to integrate a data-centric approach within community. This interim report offers comprehensive overview activities, covering reporting period from October 2020 August 2023. shift digital tools research documentation driven by work with Electronic Laboratory Notebooks (ELNs), such as Chemotion ELN, offering...
Abstract Chemotion, ein Repositorium für Forschungsdaten aus der Chemie, das praktikable Lösungen die aktuellen Herausforderungen zur Speicherung von bietet, wird vorgestellt. Es ermöglicht Erhaltung domänenspezifischer Informationen in einem maschinenlesbaren Format. Seine umfassende Funktionalität bietet Optionen Sammlung, Aufbereitung und Wiederverwendung Daten mit disziplinspezifischen Methoden Datenverarbeitungswerkzeugen. Um Kuration zu erleichtern, wurden ausgewählte analytische...
Analytical data in chemistry and other disciplines is usually generated different formats lacks common metadata standards that are necessary for a FAIR handling of research data. In the work presented herein, we describe workflow uses non-standardized, some cases proprietary from cyclic voltammetry measurements coming individual devices as an instructive example, to yield open, standardized annotated with rich metadata. The includes concepts, software infrastructure can be used support whole...
We describe the development of a repository for chemistry research data (called Chemotion) that provides solutions current challenges to store in feasible manner, allowing conservation domain specific information machine readable format. A main advantage Chemotion is comprehensive functionality, which offers options collect, prepare and reuse using discipline methods processing tools. For selected analytical data, automated procedures are implemented facilitate curation data. functions...
The collection of metadata for research data is an important aspect in the FAIR principles. schema.org and Bioschemas initiatives created a vocabulary to embed markup many different types, including BioChemEntity, ChemicalSubstance, Gene, MolecularEntity, Protein, others relevant Natural Life Sciences with immediate benefits findability packages. To bridge gap between worlds semantic-web-driven JSON+LD on one hand, established but separately developed interface services libraries, we have...
This work presents the LabIMotion extension for Chemotion Electronic Lab Notebook (ELN), expanding its capabilities from organic chemistry to support interdisciplinary research and enabling description of workflows. enhances documentation by introducing customizable components structured across three levels—Elements, Segments, Datasets—enabling flexible, hierarchical organization reuse data. Through integration links ontologies, ensures precise, machine-readable data, promoting...
<p>We describe the development of a repository for chemistry research data (called Chemotion) that provides solutions current challenges to store in feasible manner, allowing conservation domain specific information machine readable format. A main advantage Chemotion is comprehensive functionality, which offers options collect, prepare and reuse using discipline methods processing tools. For selected analytical data, automated procedures are implemented facilitate curation data....