Using a genetic algorithm to uncover new catalyst molecules for organic synthesis

A team of researchers have used a computational method inspired by evolution to discover an organic catalyst with better performance than known catalysts. As the team reports in the journal Angewandte Chemie International Edition, a genetic algorithm suggested new, catalytically active molecular structures for a popular reaction in organic synthesis. The method could be applied more broadly to the search for better molecular catalysts, the team says.


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Source: Phys.org