Researchers from the University of Bonn have trained an AI process to predict potential active ingredients with special properties. Therefore, they derived a chemical language model — a kind of ChatGPT for molecules. Following a training phase, the AI was able to exactly reproduce the chemical structures of compounds with known dual-target activity that may be particularly effective medications. The study has now been published in Cell Reports Physical Science.
Anyone who wants to delight their granny with a poem on her 90th birthday doesn’t need to be a poet nowadays: A short prompt in ChatGPT is all it takes, and within a few seconds the AI spits out a long list of words that rhyme with the birthday girl’s name. It can even produce a sonnet to go with it if you like.
Researchers at the University of Bonn have implemented a similar model in their study — known as a chemical language model. This does not, however, produce rhymes. Instead, the AI displays the structural formulas of chemical compounds that may have a particularly desirable property: They are able to bind to two different target proteins. In the organism, this means, for example, they can inhibit two enzymes at once.
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