Looking back to 2016

Besides other activities, like the second QsarDB workshop, 2016 was an interesting year when, at the beginning of the year, in February, collaboration with Taylor & Francis reached to the point where QSAR models published in their journal articles can be automatically linked with the QsarDB repository.


Oral presentation at the OpenToxEuro2016, held 26.-28. October 2016, Rheinfelden, Germany.

U. Maran, Organization and efficient use of in silico predictive models in chemistry and related areas: QsarDB Repository.


Poster presentation at the EuroQSAR2016 – 20th European Symposium on Quantitative Structure-Activity Relationships: Where Molecular Simulations Meet Drug Discovery, held 4.-8. September 2016, Verona, Italy.

Reference to the poster abstract: U. Maran, S. Sild, V. Ruusmann, G. Piir, A. T. García-Sosa, K. Takkis, M. Oja, E. Laigna, P. Ahte, I. Kahn, A. Lomaka QsarDB: general chemo-informatics solution for preserving and efficient use of QSAR models. Book of Abstracts: EuroQSAR2016, page 240.


QsarDB workshop was held at QSAR2016 conference.

This practical mini-workshop presents QsarDB repository with over 360 predictive (Q)SAR models for physical-chemical properties, environmental fate-, ecotoxic-, human health-, toxico-kinetic and other endpoints. The following topics are covered: (a) the basic usage of the repository; (b) techniques for presenting (Q)SAR models in transparent and fully accessible manner; (c) how to publish models in the QsarDB repository; (d) and decision support functionality (including reporting predictions). Demonstration can be followed on personal computer equipped with standard web browser; therefore bringing personal laptop is encouraged.


Poster presentations at the QSAR2016 – 17th International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences, held 13-17. June 2016, Miami, USA.

Reference to the poster abstract: M. Oja, S. Sild, U. Maran, Exploring and predicting membrane permeability with QSAR model in QsarDB.org repository. Book of Abstracts: QSAR2016, page 109.

Reference to the poster abstract: S. Sild, G. Piir, A. T García-Sosa, U. Maran, Open data and (Q)SAR models. Book of Abstracts: QSAR2016, page 112.

Reference to the poster abstract: S. Sild, G. Piir, U. Maran, QsarDB digitalisation tools for handling (Q)SAR models and related data. Book of Abstracts: QSAR2016, page 113.


Community was opened for Institute of Biotechnology at Vilnius University (Lithuania)

Community HDL: 10967/174


Article in journals by Taylor & Francis Online can be linked to the associated data and models in QsarDB Repository. Check Author Instructions of each concrete journal for details and general information of how to enhance article supplementary material and make your article interactive.

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