- Deposited (published) dataset (≤ 1Gbyte per set)
- Using CML where possible
- Dataset assigned a handle (≡ DOI)
- + metadata (DC, RDF), generated from
- automated scripts
- + injection via portal
- DSpace repository has >20,000 entries over six years
- Student tool for course/project work
- Can be harvested/re-injected into other repositories ...
- Chempound: where RDF allows SPARQL semantic queries of data.
Figshare: API for injecting data on molecules giving added semantic value
Concept of a DOI for collections of data handles.
Downing et al; "SPECTRa: The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories", doi: 10.1021/ci7004737