9/6/2023 0 Comments Electronic notebook![]() ![]() The establishment of infrastructure in academic institutions is particularly difficult due to missing standards or policies in data handling and storage, very diverse work practices, also regarding to the used equipment, and the limited budget for fundamental improvements. These developments have facilitated the search for the published information whereas solutions for a comprehensive digital storage and availability of all other research data, including data directly recorded in the laboratories, are still missing or lagging due to the challenging requirements of the research infrastructure in academia. During the last two decades this accessibility has been improved drastically due to the availability of publications in online editions of scientific journals and the online-support of standard commercial databases like SciFinder and Reaxys as examples in chemical research. In the past, the discussion about the generation of and access to digital research information was mainly limited to published research data. The need for digitalization of data and its systematic storage present challenges for the scientist, its institution providing the research infrastructure, and its scientific community. Therefore, the maintenance of systems for digital data acquisition, management and storage is a key factor for an efficient research activity. However, the lack of accessible and sufficiently mapped data limits the current research and the need to improve the situation was stated many times before. Following the data life cycle, this enables the increase of knowledge by computing methods. Due to the ever-growing accumulation of information resulting from the constant saving and recording of data, it is imperative to improve data management with a digital system. In the field of organic chemistry, like in any research area, the availability of digital data is a prerequisite for a sustainable and successful research as it allows the access to results, the search for information, and the processing of the obtained research data. The current version of the ELN has been using for over half of a year in our chemistry research group, serves as a common infrastructure for chemistry research and enables chemistry researchers to build their own databases of digital information as a prerequisite for the detailed, systematic investigation and evaluation of chemical reactions and mechanisms. ![]() The presented development makes allowance for the growing dependency of scientific activity on the availability of digital information by providing Open Source instruments to record and reuse research data. Meeting the requirements of a state of the art research infrastructure, the ELN allows the search for molecules and reactions not only within the user’s data but also in conventional external sources as provided by SciFinder and PubChem. ![]() It also provides tools for communicating and sharing the recorded research data among colleagues. The ELN supports planning, description, storage, and management for the routine work of organic chemists. The Chemotion ELN is equipped with the basic functionalities necessary for the acquisition and processing of chemical data, in particular the work with molecular structures and calculations based on molecular properties. The web based application is available as an Open Source software that offers modern solutions for chemical researchers. The development of an electronic lab notebook (ELN) for researchers working in the field of chemical sciences is presented. ![]()
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