Machine learning technology predicts the outcomes of chemical reactions

SHARE The software can predict reaction yields involving four components. Credit: Pixabay Researchers from Princeton University and Merck Research Laboratories have used machine learning technology to predict the outcomes of chemical reactions. The team, led by Abigail Doyle, A. Barton Hepburn professor of chemistry at Princeton and Dr Spencer Dreher of Merck, has developed software that can accurately predict reaction yields of experiments involving up to four components. Their findings are published in ‘Predicting reaction performance in C-N cross-coupling using machine learning’, i