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.


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. 

read more
16 February 2018

Congratulations to Dr. Maciej Barycki

Coongratulations to our colleague - Maciej Barycki, who defended his PhD thesis with honors on 20th of December 2017 and on the 17th of January 2018 he obtained the Doctor of Philosophy degree in Chemistry. We wish you all success in your future research career.   

read more
15 November 2017

Congratulations to Dr. Alicja Mikołajczyk

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

read more