Russian Scientists Build Neural Network That Thinks Like a Chemist

A new AI model developed in Russia mimics chemical intuition—going beyond data analysis to simulate expert-level human thinking.

Russian researchers have developed a cutting-edge neural network that exhibits something remarkably close to intuition. Created by scientists at the Institute of Organic Chemistry, the system doesn’t just crunch molecular structures—it emulates the cognitive patterns of professional chemists, according to Russia’s Ministry of Science and Higher Education.

The training process relied on a massive dataset: 50 seasoned chemists evaluated approximately 300,000 molecules, providing expert judgments that became the foundation for the AI’s learning model. As a result, the system has been trained to “think” in a way that closely mirrors human reasoning.

Unlike traditional AI tools that operate within predefined parameters, this neural network learns from expert input and applies intuition-like logic to design new compounds and materials. It can instantly assess the complexity of novel molecular structures—delivering insights that typically require years of experience and a deep understanding of chemistry.

Researchers emphasize that these intuitive evaluations can't be derived from mathematical equations alone. The new system effectively internalizes expert judgment, making it a unique addition to the world of chemical AI.