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.


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.


2 October 2018

New grant under Horizon2020 Programme for the University of Gdańsk

The NanoInformaTIX project was prepared by a consortium of nearly 40 partners and will be run for four years. Its aim is to develop a computer platform that supports the process of designing nanomaterials safe for human health and the natural environment - in accordance with the idea of designing a safe product (safe-by-design). 

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13 June 2018

Best PhD thesis in 2017 Award for Dr. Alicja Mikołajczyk

We are pleased to inform that Dr. Alicja Mikołajczyk got awarded by the Gdansk Branch of the Polish Chemical Society for the best PhD thesis defended in 2017. 

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28 March 2018

Prestigious international award for Dr. Gajewicz

Congratulations to our colleague Dr. Agnieszka Gajewicz who has received a prestigious award L’Oreal-UNESCO for Women in Science International Rising Talents and took part in 2018 L’Oréal-UNESCO For Women In Science Week in Paris in March 2018. 

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