2014 witnesses many conference presentations, the first workshop (training school), and also the integration of QsarDB repository with the DOI system. In 2014, a scientific article describing the QsarDB data format was published.
First article published online that includes unique persistent digital identifier by DOI® System, giving access to the QSARs hosted in the repository:
Piir, G.; Sild, S.; Maran, U. Classifying bio-concentration factor with random forest algorithm, influence of the bio-accumulative vs. non-bio-accumulative compound ratio to modelling result, and applicability domain for random forest model, SAR QSAR Environ. Res. 2014, 25, 967-981.
DOI: 10.1080/1062936X.2014.969310
QDB archive DOI: 10.15152/QDB.116
Oral presentation: "QsarDB - first hundred DOI-s for predictive models" (by U. Maran) at Open Access Week 2014 seminar "Towards linked science - Open Data and DataCite Estonia" in Tartu, Estonia.
University of Tartu press release (in English) about assigning first 100 DOI in Estonia "University of Tartu Library helped to assign the first hundred DOI numbers to Estonian research data"
Oral presentation: "QsarDB: solution for storing nano-structures/particles QSARs" (by U. Maran) at COST action TD1204 "Modelling Nanomaterial Toxicity (MODENA)" workgroup meeting in Syracuse, Italy.
University of Tartu press release (in Estonian language) about assigning first 100 DOI in Estonia "Esimesed Eestis registreeritud 100 unikaalset DOI-d väljastati Tartu Ülikooli keemiainformaatika uurimisandmetele"
Oral presentation at EuroQSAR2014: 20th European Symposium on Quantitative Structure-Activity Relationships in Understanding Chemical-Biological Interactions, held 31. August . 4. September 2014, St.Petersburg, Russia.
Reference to the abstract: Maran U., Ruusmann V., Sild S., QDB: from static to dynamic nature of published QSAR-s. Book of Abstracts, page 69.
Poster presentation at EuroQSAR2014: 20th European Symposium on Quantitative Structure-Activity Relationships in Understanding Chemical-Biological Interactions, held 31. August - 4. September 2014, St.Petersburg, Russia.
Reference to the abstract: Sild S., Ruusmann V., Maran U., Interactive web repository for predictive models. Book of Abstracts, page 201.
As of August 21, QsarDB repository is integrated with the DOI (http://www.doi.org/) system. Now every QDB archive has a digital object identifier (DOI) code, which facilitate the citation and acknowledgement of the repository content.
See for example: http://dx.doi.org/10.15152/QDB.106
Oral presentation at QSAR2014 . 16th International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences, held 16-20. June 2014, Milan, Italy.
Reference to the abstract: Maran U., Ruusmann V., Sild S., Accessibility, traceability and reproducibility of QSAR-s. Book of Abstracts: QSAR2014, page 31.
Course on QsarDB in Milan (QSAR2014).
QsarDB data format has been published in Journal of Cheminformatics.
Reference to the article: V. Ruusmann, S. Sild, U. Maran, QSAR DataBank - an approach for the digital organization and archiving of QSAR model information. J. Cheminf. 2014, 6:25. DOI: 10.1186/1758-2946-6-25