Russian scientists try to use neural networks to develop new drugs

From Russia Mail. Researchers at the Ru Group, Insilico Medicine, and the Moscow Institute of Physics and Technology attempted to use neural networks to develop new drugs for the first time. They tried to teach the neural network to "think" and create new molecular structures to create new and promising pharmaceutical ingredients. The findings were published in the journal Оncotarget.

At present, humans know that there are hundreds of millions of substances composed of inorganic molecules, and only a small amount of these substances are used in medicine. For example, pharmacologists continue to conduct research on aspirin that has been used for many years to produce new drugs by partially altering the molecular structure of aspirin, reducing its side effects or improving its efficacy.

How to screen out the substances with curative effect from hundreds of millions of substances? Researchers at Insilico Medicine and Moscow Institute of Physics and Technology began experimenting with neural networks in early 2016. As the research progressed, researchers have not only screened drug components through neural networks, but also tried to teach neural networks to create The new molecular structure creates new effective pharmaceutical ingredients.

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