In year 2018 the third QsarDB workshop was held. The year culminated with the publication of a scientific article, which documented the "Best Practices for QSAR Model Reporting", which was also a summary of QsarDB team's experience in recent years on how QSAR models are documented in the scientific literature and also made suggestions for improving the current state-of-the-art.
A summary of the QsarDB team's experience of how QSAR models are documented in the scientific literature, and recommendations on how to improve current practices.
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.
Poster presentation at the QSAR2018 – 18th International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences, held 11-15. June 2018, Bled, Slovenia.
Reference to the poster abstract: S. Sild, G. Piir, A. T. García-Sosa, U. Maran, QsarDB Repository – open resource of QSAR/QSPR models and datasets. Book of Abstracts: QSAR2018, page 143.
Pre-conference QsarDB workshop - Using and authoring content for the QsarDB - held at QSAR2018 conference
The workshop focused on creating content on the QsarDB repository http://qsardb.org/. Participants got an interactive guide on how to organize their QSAR/QSPR data and models, how to upload (i.e. publish) model archives to the QsarDB and use predictive models with QsarDB web applications. In addition, general QSAR aspects were covered with emphasis on the open data approach on presentation of data sets and predictive models, as well as on best practices for conducting reproducible QSAR research.