A Russian AI Breakthrough: The Neural Network That Thinks Like a Chemist
In June 2025, researchers from the N.D. Zelinsky Institute of Organic Chemistry at the Russian Academy of Sciences introduced a groundbreaking innovation: an artificial intelligence system that mimics the thinking process of an experienced chemist.
AI Inspired by Intuition
Published on arxiv.org and covered by abnews.ru, the neural network is built on a Learning to Rank algorithm capable of evaluating molecular complexity and suggesting non-obvious synthetic pathways. This marks a significant step in integrating AI into the fundamental sciences.
Unlike traditional models that simply crunch data, this algorithm replicates the expert perception of skilled chemists. Its 'pseudo-intuitive' architecture enables it to assess the structural intricacies of molecules and determine the most effective synthesis routes. For the pharmaceutical and materials science sectors, this means accelerated compound discovery, reduced lab testing costs and improved prediction accuracy.
Where previous approaches relied on brute-force computations or statistical models, this AI begins to 'feel' molecular behavior — similar to a professional chemist whose intuition has been honed over years of lab experience.
Scientific Impact and Societal Benefit
This development is poised to influence not just the IT industry, but the scientific community at large. In pharmaceuticals, it could accelerate drug discovery. In materials science, it could help design ultra-strong or eco-friendly compounds. The technology also lays a foundation for similar models in other disciplines, from biology to geochemistry.
For ordinary citizens, this could mean quicker access to innovative treatments and materials. For the Russian government, it’s a strategic step toward enhancing its global scientific standing and strengthening digital exports. For the international community, it offers a potent tool in an era marked by sanctions and the drive for technological sovereignty.
From Lab Bench to Market
The developers are already considering commercial applications. Plans include the release of software tools and APIs for the chemical and pharmaceutical industries. This could offer a domestic alternative to Western platforms — a crucial advantage under current geopolitical pressures.
Within Russia, the algorithm could be adopted by research institutes, university labs and pharmaceutical firms. It is expected to be integrated into state AI and science digitization programs. Experts see the technology as a foundation for developing entirely new classes of materials and drugs.
Toward Intuitive AI: A Retrospective
Over the past five years, artificial intelligence has evolved dramatically. Once limited to data processing and pattern recognition, modern AI increasingly exhibits traits once reserved for humans: intuition and creative problem-solving.
Between 2021 and 2023, international labs experimented with molecular generators built on transformer models, such as EternaFold. Meanwhile, Russia — as part of its national AI strategy — launched dedicated research centers and consortia. Back in 2018, Cognitive Technologies had already begun exploring intuitive AI. The current breakthrough is a continuation of this trajectory. It suggests AI is moving beyond automation and becoming a genuine partner in decision-making.
The Future Is Already Here
This Russian breakthrough in 'intuitive' AI demonstrates that machine intelligence can go beyond statistics and simulate expert-level judgment.
Pilot projects in pharmaceuticals and materials science are expected to begin within the next two to three years. Long-term projections include integration of such AI systems into education, research and industry. With this innovation, Russia positions itself as a global leader in this emerging AI paradigm.
These technologies are reshaping not just the rules of science — but the very way we think about how machines can assist human creativity, discovery and thought.
