Using AI to Predict Outcomes of Complex Organic Chemistry Reactions

Researchers at IBM took the kind of AI program normally used to translate languages and applied it toward organic chemistry.

By thinking of atoms as letters and molecules as words, artificial intelligence software from IBM is now employing the same methods computers use to translate languages to predict outcomes of organic chemical reactions, which could speed the development of new drugs.

Researchers at IBM took the kind of AI program normally used to translate languages and applied it toward organic chemistry. "Instead of translating English into German or Chinese, we had the same artificial intelligence technology look at hundreds of thousands or millions of chemical reactions and had it learn the basic structure of the 'language' of organic chemistry, and then had it try to predict the outcomes of possible organic chemical reactions," says study co-author Teodoro Laino at IBM Research in Zurich.


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