Algorithmic Cheminformatics

Welcome to the Algorithmic Cheminformatics Research Group, where we focus on the analysis and design of complex chemical networks.

In contemporary research, the investigation of intricate chemical reaction networks stands as a fundamental challenge across various domains, including academia, industry, and societal concerns. Our newly established group engages in the systematic study of such networks, aiming to address pertinent issues also outlined within the Sustainable Development Goals of the UN's 2030 agenda.

Utilizing advanced computational methodologies, we develop tools to decipher the structure and behavior of chemical networks with precision and computational efficiency. Our approach, grounded in interdisciplinary collaboration with esteemed partners such as the University of Vienna, University of Leipzig, Harvard Medical School, BASF SE, and Thermo Fisher Scientific (to name a few), aims to foster innovative solutions to complex chemical problems.

Central to our efforts is Algorithmic Cheminformatics, a methodology integrating principles from chemistry, systems biology, computer science, and mathematics. This framework offers a systematic and versatile approach to modeling and analyzing chemical reaction networks, facilitating insights into diverse applications such as metabolic engineering and enzyme design.

Our research endeavors, spanning from theoretical investigations to practical applications, aim to contribute to the advancement of knowledge and technology in the domain of cheminformatics. We believe that through rigorous scientific inquiry and collaboration, we can unlock new avenues for understanding and manipulating chemical networks, thereby addressing critical challenges in fields ranging from healthcare to environmental science.

We invite you to explore our research and join us in our pursuit of scientific discovery and innovation in cheminformatics.