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Dataset
Chempound
Store and share physical science data in Chempound, a web-based repository.
Chempoundjodi-ojs-tdl.tdl.org/jodi/article/download/587…Visit siteAbout Chempound
Chempound is a web-based repository for storing and sharing physical science data. It holds chemical objects expressible in CML, exemplified by crystallographic experiments and computational chemistry calculations.
It is based on RDF, semantic dictionaries and linked data. Entries can be searched through SPARQL endpoints and pre-indexing of key fields, with examples holding over 50,000 entries. The architecture is described as adaptable to other data-rich sciences.
Key features
- Store chemical objects expressible in CML
- Hold crystallographic experiment records
- Hold computational chemistry calculation records
- Search entries via SPARQL endpoints
- Pre-indexing of key fields for search
- Based on RDF, semantic dictionaries and linked data
Best for: Researchers who need to store and share crystallographic and computational chemistry data expressible in CML.
Good for
- Stores domain-specific chemical data expressible in CML
- Supports search of large collections via SPARQL and pre-indexed fields
- Architecture described as adaptable to other data-rich sciences
Chempound at a glance
- Official website
- jodi-ojs-tdl.tdl.org/jodi/article/download/587…
- Category
- Research & Data › Open Data & Datasets
- Type
- Dataset
- Platforms
- Web
- Last checked
- Oct 5, 2026 · Online when checked
- Listed
- Oct 5, 2026
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Chempound FAQ
What kinds of data can Chempound hold?
Chemical objects expressible in CML, including crystallographic experiments and computational chemistry calculations.
How can data in Chempound be searched?
Through SPARQL endpoints and pre-indexing of key fields.
Is Chempound limited to chemistry?
It was developed for chemical data, but its architecture is described as adaptable to other fields of data-rich science.
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