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AI Laboratory Opens New Frontiers in Chemistry and Molecular Engineering at TSU
TSU and AIRI Institute launched an AI lab at ECTC to develop AI-driven methods for designing materials and medicines. The lab integrates AI to simulate chemical properties and speed drug development.
New AI Laboratory Opens at TSU and AIRI Institute for Chemistry and Molecular Engineering
The Tomsk State University (TSU) and the AIRI Institute have launched an artificial intelligence laboratory focused on chemistry and molecular engineering. Located at the Engineering Chemical Technology Center (ECTC), this lab aims to develop AI-driven methods for designing new materials and medicines by analyzing chemical, biological, and medical data.
By integrating AI technologies, the laboratory will simulate the properties of chemical compounds and accelerate drug development processes. This initiative supports both predictive modeling and experimental validation to ensure practical application in real-world chemical synthesis and molecular engineering.
Research Focus Areas
- Prediction of physico-chemical properties of chemical compounds
- Development of algorithms to analyze quantum patterns in atomic and molecular physics, including macroscopic quantum effects
- Advancements in chemoinformatics (chemical and molecular informatics) and bioinformatics at DNA, cellular, and tissue levels
- Creation of digital assistants and intelligent decision support systems tailored for chemical technologies
These research lines will enable scientists to combine diverse data sets from chemistry, biology, and physics, improving the quality and speed of scientific discovery.
Insights from Leadership
Artur Kadurin, head of the AI in Life Sciences Research Group at AIRI and scientific director of the new lab, emphasized the challenge of managing large and varied datasets generated by modern life sciences and materials science. The laboratory’s mission is to develop AI tools that integrate this heterogeneous data to predict complex substance properties and interactions.
“Our focus is on computational approaches that enhance the use of AI to accelerate therapeutic drug and functional material development. TSU experts will validate our AI methods experimentally,” Kadurin explained.
Vyacheslav Goiko, director of the TSU Institute for Big Data Analysis and Artificial Intelligence, highlighted how AI is transforming the logic of scientific research in chemistry and molecular engineering. He pointed out that success depends on mastering AI to speed up research and generate new knowledge. Goiko also noted the collaboration benefits between the AI Institute's expertise in AI research and TSU’s capabilities in chemical process synthesis and analysis.
Practical Applications and Facilities
The laboratory will use unique equipment at ECTC, including specialized plants for chemical production. One current project focuses on developing Russia’s first AI system for low-tonnage chemical production. This system aims to shorten production cycles, minimize human error, and improve both accuracy and safety.
Aleksey Knyazev, Director of ECTC and Acting Dean of the Chemistry Department at TSU, described the production of sodium tartrate as an example. AI models predict parameter changes and analyze their effects, critical for continuous substance development.
The collaboration between AI research and chemical engineering facilities ensures that AI-driven innovations are grounded in experimental reality, facilitating practical advancements in material and drug design.
For professionals engaged in scientific research and development, this new AI laboratory presents significant opportunities to apply AI methods directly to complex problems in chemistry and molecular engineering.