Laboratory of Environmental Chemometrics

We wish chemistry to be safe.

Because of that, with passion, we develop computational methods that support designing safe chemicals and we educate specialists in this area.

Research Area

Main research interest of the university staff and PhD students from the Laboratory of Environmental Chemometrics is the application of novel chemometric and chemoinformatic methods for risk assessment of new chemicals.

One of the main tools used and developed by the team is Quantitative Structure-Property/Activity Relationship (QSPR/QSAR) modeling. This method, originally created for designing new drugs, became nowadays very useful in the process of human and environmental risk assessment performed for new chemicals.

The application of computational methods (including QSPR/QSAR) in the risk assessment, instead of conducting traditional experiments, is recommended by majority of the European regulations, i.e. REACH Regulation (EC No 1907/2006, REACH - Registration, Evaluation, Authorization and restriction of CHemicals). It is because computational methods enable saving time, costs and reducing the use of laboratory animals.

Staff working in the Laboratory of Environmental Chemometrics participated in and/or coordinated a number of national and international research projects. This includes two projects within the 7th Framework Programme (NanoPUZZLES and NanoBRIDGES) and HORIZON 2020 (NanoReg2 project).

Amongst the most important research achievements of the team, there is the introduction of QSAR methods to nanotechnology (Nano-QSAR). The results have been published in Nature Nanotechnology, Small, Nanoscale, Nanotoxicology and other prestigious journals. In parallel, researchers from the laboratory developed a series of QSPR/QSAR models for designing and risk assessment of ionic liquids (results published in Green Chemistry, Journal of Hazardous Materials, Chemosphere and other journals).

Currently conducted research includes the following research topics:

  • Risk assessment of nanoparticles and nanomaterials safe-by-design;
  • Designing and risk assessment of ionic liquids;
  • Designing safe biomaterials;
  • Development of computational methods for risk assessment of classical chemicals (e.g. drugs, cosmetics, personal care products).

Laboratory of Environmental Chemometrics closely collaborates with „QSAR Lab sp. z o. o.”  - a spin-off company that commercializes the results.


15 November 2017

Congratulations to dr Alicja Mikołajczyk

Sincere congratulations to our colleague - Alicja Mikołajczyk, who succesfully defended her PhD thesis on 23rd of October 2017 and on the 15th of November 2017 she obtained the Doctor of Philosophy degree in Chemistry.  

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18 October 2017

L'Oréal-UNESCO for Women and Science

Congratulations to dr Agnieszka Gajewicz from the Laboratory of Environmental Chemometrics, Department of Environmental Chemistry and Radiochemistry, Faculty of Chemistry at the University of Gdansk who received a habilitation scholarship under the program "L'Oréal-UNESCO for Women and Science" for the development of chemoinformatics methods, supporting the chemical risk assessment of new and existing chemicals in the environment.

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13 October 2017

The third degree Team Award of the Rector of the University of Gdańsk

Tomasz Puzyn, Agnieszka Gajewicz, Karolina Jagiełło and Anita Sosnowska awarded The third degree Team Award of the Rector of the University of Gdańsk 

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