Highlights from Chemotion Repository 2.0.0

Another new release of Chemotion Repository is out! Take a look at some of our highlights on what’s new in Chemotion Repository 2.0.0.

When uploading a file to Dataset, you may have noticed the dual download buttons in the Dataset’s UI upon completion, like so:

With the power of the ChemConverter service, the metadata extraction happens automatically from raw files and seamless mapping to the Generic Dataset. To maximize the benefits of ChemConverter, Chemotion Repository ships with new support for choosing to retrieve the metadata in xlsx format. Additionally, there is an option for you to download both the data and metadata collectively as a zip file (for more about these, check out our documentation).

JSON-LD (JavaScript Object Notation for Linked Data) has emerged as a preferred format for structuring and sharing linked data on the web. With JSON-LD support, scientists can seamlessly exchange publication data in a standardized format. For more information and assistance on utilizing JSON-LD in Chemotion Repository, visit our API document.

Labeling simplifies sample identification and facilitates data management, enhancing collaboration among collaborators by providing standardized sample referencing. My Label already offered private and user-public labeling. With 2.0.0., authorized users can now define a global label that can be used by all users and be visible on the publication.

The newly implemented search tool on the Chemotion Repository Home page helps you to discover the publications effectively. This tool enables searches by author, chemical methods ontology, IUPAC, InChi, SMILES, or even allows you to draw a structure for searching in Data Publications or Molecule Archive.

Explore all updates and enhancements by referring to the release notes. Join the discussion within GitHub Community.