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Chemistry and computer science join forces to apply artificial intelligence to chemical reactions

Date Time Chemistry and computer science join forces to apply artificial intelligence to chemical reactions In the past few years, researchers have turned increasingly to data science techniques to aid problem-solving in organic synthesis. Researchers in the lab of Abigail Doyle, Princeton’s A. Barton Hepburn Professor of Chemistry, have developed open-source software that provides them with a state-of-the-art optimization algorithm to use in everyday work, folding what’s been learned in the machine learning field into synthetic chemistry. Princeton chemists Benjamin Shields and Abigail Doyle worked with computer scientist Ryan Adams (not pictured) to create machine learning software that can optimize reactions – using artificial intelligence to speed through thousands of reactions that chemists used to have to labor through one by one.

Chirik discovers transformative route to recyclable plastics

Chirik discovers “transformative” route to recyclable plastics Wendy Plump, Department of Chemistry Jan. 25, 2021 11 a.m. As the planet’s burden of rubber and plastic rises unabated, scientists look to the promise of closed-loop recycling to reduce trash. Researchers from Princeton University s Department of Chemistry have discovered a potentially game-changing new molecule with vast implications for fulfilling that promise. A team of scientists led by Paul Chirik, the Edwards S. Sanford Professor of Chemistry, reports in Nature Chemistry that this molecule connects in a very unusual way: as a repeating sequence of squares, which allows the process to go backwards under certain conditions. In other words, the molecule can be “zipped up” to make a new polymer for use in plastic, and then unzipped depolymerized back to its pristine state, ready to be used again.

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