He integrates molecular biology, biochemistry, and artificial intelligence in his research. His team develops innovative computational methods for interpreting metabolomic data and discovering previously unknown molecules, particularly in plants. These discoveries can be applied to the design of new types of medications.

For the past four years, he has led an international research team at the Institute of Organic Chemistry and Biochemistry (ÚOCHB) in Prague, returning after fifteen years of scientific work in Japan (OIST) and the USA (MIT), where he honed his interdisciplinary expertise.

He is a board member of the International Society for Metabolomics, and his software platform, mzmine, for mass spectrometry data analysis, has garnered thousands of citations. Alongside colleagues in Germany, he co-founded the company mzio GmbH, which develops a commercial version of mzmine.