Carnegie Mellon University, USA
Artificial intelligence (AI) systems that design and perform complex chemical reaction experiments have emerged. Provided by Getty Image Bank
Scientists have developed an ‘artificial intelligence (AI) chemist’ that designs and performs complex chemical experiments. This system, created using the generative AI chatbot ‘ChatGPT’, planned, designed, and executed a chemical experiment in just a few minutes. It is expected that it will help increase the research efficiency of chemists.
On the 20th (local time), the research team led by Professor Gabe Gomez of the Department of Chemical Engineering at Carnegie Mellon University announced the results of a study in which the AI system ‘Coscientist’ they developed designed and performed a chemical reaction to combine paracetamol and aspirin in the laboratory. It was published in the international academic journal ‘Nature’.
Professor Gomes, who led the research, said, “It was amazing that AI autonomously planned, designed, and executed a chemical reaction invented by humans.”
The AI system ‘Cooperative Scientist’ learned a large number of chemistry papers using the Large Language Model (LLM) applied to the latest version of ChatGPT released in March. We analyzed the factors the researcher considers and the actions performed during the actual experiment process. Through this, we gained the ability to design the optimal reaction path to create molecules and determine the most appropriate reagents and experimental tools. This task took only 4 minutes.
In an experiment to check its performance, the ‘collaborating scientist’ synthesized paracetamol and aspirin, ingredients used in painkillers, as well as organic compounds nitroaniline and phenolphthalein. At the experimental design stage, a method to obtain the best reaction results was derived and the compound was accurately created.
It showed excellent performance even in more complex experiments. The ‘Suzuki-Miyaura reaction’, which is important in drug development, was successfully induced. This reaction, also called the ‘Suzuki reaction’, is used to simply and efficiently combine organohalogen compounds and organoboron compounds using a palladium catalyst. It is well known for its research achievements, which won the Nobel Prize in Chemistry in 2010.
Scientists predict that tools such as ‘collaborating scientist’ will likely be introduced to various scientific and technological fields in the future. Regarding this outlook, Professor Gomes said, “It is important to think carefully about what technology is used because some AI programs have the potential to act dangerously.”
