Bristol-Myers Squibb collaboration leads to open-source software to optimize chemical reactions

Scientists from Princeton chemistry and computer science work with industry to create tool based on machine-learning
In the past few years, the Doyle Lab has turned increasingly to data science techniques to assist problem-solving in organic synthesis. Researchers are driven partly by a year-old federal initiative that seeks to conjoin data science and chemistry, and partly by the notion that a chemist’s time is better spent exploring new reactions than optimizing them.