Since the beginning of its activity, QSAR Lab has been transferring chemistry from traditional laboratories to the virtual space. The company’s offer includes a number of specialized services in the field of computational chemistry and toxicology. Using in silico methods, data analysis, machine learning and artificial intelligence, we will help you increase the efficiency of your research, reduce its cost and introduce it to a higher level of innovation.

Our knowledge and services are offered to support the development of industrial and scientific units in industries such as chemical, agrochemical, pharmaceutical, and cosmetics. Our activities are the synergy of digitalization, the assumptions of the Green Deal in the field of computational chemistry, and Safe and sustainable by design.


The President of QSAR Lab – Prof. Tomasz Puzyn PhD, DSc – a world-recognized specialist in the field of chemoinformatics and environmental chemistry, co-author of the basics of computational nanotoxicology, is responsible for the functioning of the Company in the research and development area and for scientific supervision over the services provided.

The company’s interdisciplinary research team consists of specialists in the field of computer design and analysis of new, safe chemicals, nanotechnology, nanotoxicology, chemical statistics and chemometrics, as well as machine learning and AI.

R&D activity

QSAR Lab’s research and development activities primarily concern the development of innovative computer methods for the design and health risk assessment of technologically advanced nanoparticles and nanomaterials.

QSAR Lab is a pioneer in computer modeling of biological activity / toxicity / physicochemical properties of nanomaterials. QSAR Lab members were the first to adapt the QSAR / QSPR methodology to the specificity of nanoparticles.

Currently, QSAR Lab is involved in the implementation of many research and development projects financed by the international framework program of the European Union – HORIZON 2020 (PATROLS, RiskGONE, NanoSolveIT, CompSafeNano, DIAGONAL, PROMISCES, NOUVEAU)- as well as projects financed by the NCBR Fast Track program.

Thanks to international research projects carried out in cooperation with partners from Europe, North America and Asia, our scientists participate in the creation of legislation and research standards regarding chemical safety in Poland, Europe and the wider world.


March 2018

PATROLS Project - HORIZON 2020

December 2018

NanoSolveIT Project - HORIZON 2020

October 2019

QSAR Lab Internship Program for young scientists

October 2020

CompSafeNano Project - HORIZON 2020

November 2020

QSAR Lab Internship Program for young scientists

February 2021

Pomorski Gryf Gospodarczy Award

December 2021

PeptAIm Project - Szybka Ścieżka NCBR

July 2022

QSAR Lab report for ECHA - initiation of nanoNAMs application

April 2016

Establishment of QSAR Lab Ltd.

December 2018

RiskGONE Project - HORIZON 2020 EU Program

August 2019

QSAR Lab become a member of Silesian Nano Cluster

December 2019

NanoQSAR Toolbox Project - Szybka Ścieżka NCBR

October 2020


November 2020

Development of the NanoQSAR Toolbox project - Szybka Ścieżka NCBR

August 2021


July 2022

QSAR Lab Internship Program for young scientists

September 2022

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