Helmholtz Zentrum München Supervisors

Igor Tetko

Dr. Igor Tetko (scientific coordinator) obtained MSc degree (with honor) from Moscow Institute of Physics and Technology (MIPT) and PhD in bioorganic chemistry from the Ukrainian Academy of Sciences (1994). He did his postdoctoral study in the University of Lausanne in neuroinformatics. Since 2001 Dr. Tetko is employed at Helmholtz Zentrum München, where he is Chemoinformatics group leader at the Institute of Structural Biology. He is also CEO of BIGCHEM GmbH, which provides informatics solution for big data analysis in life sciences. In 2011 he completed H.D.R (habilitation) in chemoinformatics from the University of Strasbourg. Dr Tetko co-authored more than 200 publications in chemoinformatics, bioinformatics, neuroinformatics, computational chemistry, environmental toxicity and machine learning. He was a PI in several international projects (FP7 CADASTER, NATO, INTAS-INFO, etc.) as well as coordinated Virtual Computational Chemistry Laboratory (VCCLAB) , FP7 Marie Curie Innovative Training Network  “Environmental ChemOinformatics” and Horizon 2020 Marie Skłodowska-Curie Innovative Training Network - European Industrial Doctorate "Big Data in Chemistry". In 2019 he was the General Chair of International Conference on Artificial Neural Networks (ICANN2019) which had a historical record of >500 participants. Dr. Tetko received national GO-Bio BMBF awards and was founder and CSO of eADMET GmbH company. His research interests include development of machine learning tools for computer-aided drug discovery and life sciences.

Dr. Pavel KarpovDr. Pavel Karpov obtained MSc (2007) and Ph.D. (2012) degrees in organic and medicinal chemistry from Moscow State University. He then grounded a software company developing a laboratory information management system RuLIS, which recently successfully passed all Russian trials needed to be a medical device with positive recommendations for installations in clinical laboratories throughout the whole country. Meanwhile, he continued his scientific career as a researcher in the Institute of Physiologically Active Compounds of the Russian Academy of Sciences. In 2017 he moved to Germany and joined the chemoinformatics group headed by Dr. Igor V. Tetko in the Institute of Structural Biology in Helmholtz-Zentrum Muenchen. He is working on different drug-development projects, including the ERA-CVD project aimed at finding a cure to mitigate cardiotoxicity of anticancer drugs, and COVID19 project that combines artificial intelligence and medicinal chemistry tools in developing new inhibitors of SARS protease. In 2019 he was a publication chair of ICANN2019. His research interests include the development and interpretation of new artificial neural network architectures, system-, and high-load programming. Bringing all the pieces into one sophisticated and successful drug-development platform is his ultimate dream he is chasing to come true.