Looking back to 2015

In addition to active development work, digitalization of QSAR models and many presentations, a research article was published that describes the QsarDB data repository and its design principles as a whole.

23-September-2015

Oral and poster presentations at 4th World Conference on Physico Chemical Methods in Drug Discovery and Development, Rovinj, Horvaatia, September 21-24, 2015.

Reference to the oral presentation 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: chemo-informatics solution for preserving and efficient use of in silico physicochemical, toxicological, biochemical and human health endpoint models“ Book of Abstracts, page 30.

Reference to the poster abstract: M. Oja, S. Sild, U. Maran „Exploring and predicting in QsarDB repository: membrane permeability QSAR model over gastrointestinal tract pH-range“ Book of Abstracts, page 65.

21-September-2015

Oral and poster presentations at LINZ2015/EUSAAT2015 – 19-th European Congress on Alternatives to Animal Testing and 16-th Annual Congress of European Society for Alternatives to Animal Testing joint meeting Linz, Austria, September 20-23, 2015.

Reference to the oral presentation 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: solution strategy for efficient use of QSAR models“, ALTEX Proceedings 2015, 4(2), page 156.

Reference to the poster abstract: I. Kahn, P. Ahte, S. Sild, U. Maran „Accessibility of published QSAR models: ecotoxic endpoints“ALTEX Proceedings 2015, 4(2), page 119.

18-September-2015

Article published online that includes unique persistent digital identifier by DOI® System, giving access to the QSARs hosted in the repository:

Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.

DOI: 10.1080/1062936X.2015.1085896

QDB archive DOI: 10.15152/QDB.166

15-September-2015

Oral and poster presentations at Conferentia Chemometrica 2015, Budapest, Hungary, September 13-16, 2015.

Reference to the oral presentation 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: solution for efficient organization and use of QSAR models“ Book of Abstracts, L15.

Reference to the poster abstract: I. Kahn, P. Ahte, G. Piir, S. Sild, U. Maran „Accessibility of Published QSAR models: Environmental Fate Endpoints„Book of Abstracts, L33.

25-June-2015

QsarDB repository article has been published in Journal of Cheminformatics.

Reference to the article: V. Ruusmann, S. Sild, U. Maran, QSAR DataBank Repository – open and linked qualitative and quantitative structure activity relationship models. Journal of Chemoinformatics 2015, 7:32. DOI: 10.1186/s13321-015-0082-6

24-June-2015

Poster presentation at CMTPI2015 – 8-th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Chios, Greece, June 21-25, 2015.

Reference to the abstract: G. Piir, S. Sild, U. Maran Integarted use of complex (Q)SAR models is made simple. Book of Abstracts: CMTPI2015, page 79.

23-June-2015

Poster presentations at CMTPI2015 – 8-th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Chios, Greece, June 21-25, 2015.

Reference to the abstract: G. Piir, A. T. García-Sosa, S. Sild, U. Maran, Digitalizability of QSAR models: physical chemical properties and human health endpoints. Book of Abstracts: CMTPI2015, page 78.

Reference to the abstract: S. Sild, E. Laigna, G. Piir, U. Maran, Digitalisation tools for QsarDB data schema and format. Book of Abstracts: CMTPI2015, page 80.

22-June-2015

Oral presentation at CMTPI2015 – 8-th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Chios, Greece, June 21-25, 2015.

Reference to the 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 QSAR/QSPR models on the Web – myth or reality. Book of Abstracts: CMTPI2015, page 15.

Poster presentation at CMTPI2015 – 8-th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Chios, Greece, June 21-25, 2015.

Reference to the abstract: M. Oja, U. Maran Membrane permeability QSAR model over gastrointestinal tract pH-range: exploring and predicting in QSARDB repository. Book of Abstracts: CMTPI2015, page 56.