New AI model identifies new pharmaceutical ingredients and improves existing ones

New active pharmaceutical ingredients lay the foundations for innovative and better medical treatments. However, identifying them and, above all, producing them through chemical synthesis in the laboratory is no mean feat. To home in on the optimum production process, chemists normally use a trial-and-error approach: they derive possible methods for laboratory synthesis from known chemical reactions and then test each one with experiments, a time-consuming approach that is littered with dead ends.