Thanks to the introduction of artificial intelligence (AI), chemists will be able to create digital twins of chemical reactions, which will replace real experiments with modeling in digital format. This opinion was expressed by Academician of the Russian Academy of Sciences, Head of the Laboratory of the Institute of Organic Chemistry of the Russian Academy of Sciences Valentin Ananikov at a lecture at Novosibirsk State University (NSU).
According to Ananikov, digital twin technologies make it possible to obtain significant scientific results without the need for dangerous or toxic experiments. This is especially important for working with highly toxic, high-energy substances, where human participation poses a serious risk. Digital twins of chemical reactions can significantly improve the safety of scientists, replacing a real experiment with its digital model.
However, according to the scientist, one of the problems in the development of neural networks for chemistry is the lack of data for AI training. Currently, scientists process only about 10% of the experimental results obtained. Ananikov believes that the development of artificial intelligence in chemistry could be accelerated if scientists published more data in open access, which would give neural networks more information for training and improving the accuracy of models.
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