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.


In our research we develop and apply advanced methods of chemometrics, statistics and computational chemistry to environmental problems. By employing computational resources, we are able to extract useful information from multivariate environmental data. Moreover, we can successfully model processes and phenomena that are important from the environmental point of view. Our studies are especially focused on developing Quantitative Structure – Activity Relationships (QSARs) to predict toxicity and phys/chem properties of novel chemicals. In consequence, a comprehensive risk assessment for new substances becomes possible without a vast number of experiments performed on living animals. Moreover, costs and time of the risk assessment procedures can be significantly reduced.

We are interested on both types of potentially harmful chemicals: intentionally synthetised novel compounds (e.g., engineered nanomaterials) and compounds that currently have been identified as emerging environmental pollutants, unintentionally released to the environment in effect of human activity (e.g., new representatives of Persistent Organic Pollutants). Alternative methods of risk assessment (including QSAR) are strongly recommended by the European system of controlling chemicals, so-called REACH (Registration, Evaluation, Authorization and restriction of CHemicals). According to the REACH regulation (EC No 1907/2006) that entered into force in 2007, producers and/or importers of articles are obliged to register or notify those substances in their articles which meet the criteria for classification as dangerous, are present in a quantity of more than 1 tonne per producer or importer per year per article type and are either intentionally or unintentionally released.


18 January 2024

Prof. Tomasz Puzyn, Dr. Karolina Jagiełło and Dr. Alicja Mikołajczyk nominated to the 2024 LUSH PRIZE

The scientific team of: Prof. Tomasz Puzyn, Dr. Karolina Jagiello & Dr. Alicja Mikołajczyk, representing the QSAR Lab spin-off University of Gdansk company, were nominated for 2024 Lush Prize in the “Science” category for the project titled: “AOP-Anchored in silico-based NAMs for design safer multicomponent nanomaterials”.

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7 November 2023

Dr. Alicja Mikołajczyk awarded during the ChinaNanomedicine 2023 Conference in Guangzhou

Dr. Alicja Mikołajczyk from the Laboratory of Environmental Chemoinformatics of the Faculty of Chemistry of the University of Gdańsk received the scientific award during the ChinaNanomedicine 2023 Conference: Nanomedicine Discovery and Translation, in Guangzhou, China. Congratulations!!!

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1 October 2020

Job offer for a research assistant in Horizon 2020 project

With the consent of the Rector of the University of Gdańsk a recruitment procedure for the position of research assistant is open in the Team of Environmental Chemometrics within the Department of Environmental Chemistry and Radiochemistry. The person hired for this position will carry out the tasks of scientific research as part of the "NanoInformaTIX" project financed by the Framework Programme EU HORIZON 2020 (

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