Chapter 8: Tips for linking QSARs
QsarDB is a valuable tool in supporting the best practices of QSAR model reporting, making models transparent, and helping in model governance and data management plan.
To read more about best practices of QSAR model reporting please read recent article:
Piir, G.; Kahn, I.; García-Sosa, A. T.; Sild, S.; Ahte, P.; Maran, U. Best practices for QSAR model reporting: Physical and chemical properties, ecotoxicity, environmental fate, human health and toxicokinetics endpoints. Environ. Health Perspect. 2018, 126: 126001. DOI: 10.1289/EHP3264
How to link PDF publications and QsarDB?
Solution 1 – add data citation to the scientific publication:
The QsarDB repository issues a DOI for the QDB archive after its uploaded and enables data citations to models and related data in the QDB archive. The authors can use a data citation as a reference in the manuscript. While the manuscript is still under revision, repository submission will be embargoed and released upon acceptance of the manuscript. This approach has an added value for users of the Scopus literature database, which provides a separate section for data (“Related research data”) next to the article entry.
Solution 2 – add QsarDB DOI anywhere in the scientific publication:
QsarDB issues a DOI for QDB archive, which you can insert anywhere in the manuscript text.
Solution 3 – automatic link between scientific publication and QsarDB:
While we recommend adding explicit links between scientific publications and QsarDB archives, it’s also important to establish connections via archive metadata. The authors should define this link during the archive upload process by providing the DOI of the publication. When the archive is publicly available, its metadata will include linking information in a machine-readable format. Some journals and literature repositories index this metadata and will automatically add a link to the QsarDB archive under the Supplemental information section or as Related research data section. This solution is the only option when the authors have already published their papers and later decide to upload the published models to the repository.