Chapter 7: Tips for linking QSARs

QsarDB is also valuable in supporting the best practises of QSAR model reporting, making models transparent, and helping in model governance and also in 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 PDF publication:

QsarDB issues DOI for QDB archive when models and data are uploaded to the repository and provide citation to the QDB archive. This citation can be inserted as reference into the manuscript. While manuscript is still under revision repository submission will be embargoed and released up on acceptance of the manuscript.

Solution 2 – add QsarDB DOI anywhere in the PDF publication:

QsarDB issues DOI for QDB archive and this DOI can be inserted anywhere in your manuscript.

Solution 3 – automatic link between PDF publication and QsarDB:

This solution is in addition for first two and works today for all journals by publisher Taylor & Francis. At T&F journal author should consult journal Data Sharing Policy and select QsarDB as repository for research data. Once the article is published and DOI has been issued to the publication and article DOI is also deposited to the QsarDB meta-data. After that link with article is made in 24H automatically and repository link appears under tab Supplemental as Related Research Data item.

Toolkit Example PMML-s