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Chemotion
Attributes
DescriptionThe ELN Chemotion is a development for chemists and other scientists working in related disciplines. The development of Chemotion started at the Karlsruhe Institute of Technology (KIT) in the group of Prof. Stefan Bräse as part of a DFG-funded project. Currently, the ELN Chemotion is developed by several software developers at different NFDI4Chem sites at KIT, FSU Jena, TU Braunschweig, IPB Halle, and RWTH Aachen. Chemotion is the ELN reference instance in NFDI4Chem (National Research Data Infrastructure for Chemistry).
The Chemotion ELN was designed for chemists and adapted to the special requirements of chemical laboratory work and documentation. It therefore serves as a digitalization instrument for work in chemistry, developed to overcome the current limitations of the existing systems. To reach this goal, the development, improvement, and extension of the ELN is a community effort. The ELN is also used in other disciplines beyond chemistry as it offers a broad generic functionality to meet the needs of scientists working in interdisciplinary environments. These generic functions are still being extended and adapted.
Chemotion ELN offers a specific function that facilitates the publication of research data: it supports the transfer of data from a user's ELN account to a research data repository. This function reduces the scientists' effort in allowing access to research data, which is required by many funding agencies and helpful for the publication of scientific text publications. Currently, the ELN supports the transfer of data to the Chemotion repository.
ProviderKarlsruhe Institute of Technology (KIT)
Information on Provider
Activity Statusactive
Information on Active
Last checked on2023-01-06
Provider's data safety and data security strategies
Reference usersExamples for applications: Institute of Biological and Chemical Systems at KIT (contact: Dr. Nicole Jung, nicole.jung@kit.edu), at the Institute of Functional Interfaces of KIT (contact: Alexander Welle, alexander.welle@kit.edu), RWTH Aachen (contact: Sonja Herres-Pawlis, sonja.herres-pawlis@ac.rwth-aachen.de),.
Reviews
Exit strategyData in Chemotion are assigned to collections. Those ollections can be exported and re-imported (if needed) into another Chemotion instance. The data can be transferred, stored, and published in chemotion repository.
Communityhttps://www.nfdi4chem.de/
Known users
General
LicenseOpen Source, AGPL
PricingFree with restrictions (Number of users, functions), Free
VersionsDemo, Demo hosted by NFDI: https://demo.chemotion.scc.kit.edu
Location of providerGermany
Usability
Customizable user interfaceCustomizable user interface, The interface can be adapted to different discipline specific needs, different forms can be defined by users and admins.
LanguagesEnglish
SupportOnline documentation, Support by provider, Consulting, User training (online, on site), Support is organized via NFDI4Chem: helpdesk@nfdi4chem.de
Usage statisticsNo usage statistics
Offline functionalities
Core functions (Daily work)
Data inputChemical editor, Plain text editor, Barcode Scanner, Browser forms, Scientific calculator
Data import (formats)Structured formats, Scientific formats, Compressed formats, Document formats, Image formats, Drag & Drop, Automatic Import from integrated measurement devices with ELN
Data import (method)Drag & Drop / File Chooser, e-mail
Data exportFormats suitable for publication, Complete content in machine readable format
TemplatesDefine own templates, Import of own templates, Microtitre plate templates, Subject specific templates, Different templates for different disciplines available
Search functionsAdvanced search, Search for reactions, Search by chemical structure
CollaborationRights management
Compliance with legal requirements
Preservation of evidence
ComplianceGood Laboratory Practice (GLP)
Extended functions (Daily work)
Laboratory management functionsConnection of devices possible and shown for different examples - see documentation of the ELN for examples and methods
Integrations and extensionsChemDraw, OpenBabel, SciFinder, rdkit, Pubchem, Ketcher Editor, Marvin JS ChemAxon
AutomationData analysis, Device control, Get data from instrument
Device connectionDevice connection
Project management tools
WorkflowsReports
Integration in RDM and IT environment
Application programming interfacesOther API, REST API
Controlled vocabularyControlled Vocabulary, CHMO and RXNO
Data accessLocal client
Data storage locationLocal
Authentication methods
User account security measures
Usage option
Server operating systemLinux, MacOS, Windows
Version History
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