​Scientists at Innopolis University have developed a neural network that helps determine the structure of unknown chemical compounds

It enables pharmacists, chemists, and analysts to conduct research more quickly. The innovation has already been patented.

Previous molecule identification technologies required more time and effort and did not always yield results, as a direct match might not exist.

The Innopolis neural network solves this problem. Instead of searching for an exact copy, the system looks for the most similar structures and automatically ranks them based on resemblance. In 90.5% of cases, the correct structure appears among the top hundred suggested options.

The developers emphasize that the neural network does not replace the chemist or eliminate the need for experimental verification. Its purpose is to narrow down the search space and present the researcher with the most promising hypotheses. The technology is suitable for applications in pharmaceuticals, chemistry, and analytical science.

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