Researchers overcome computational limitations to predict the starting materials of multi-step reactions using only information about the target product molecule. Researchers overcome computational ...

WEST LAFAYETTE, Ind. – A Purdue University-affiliated company is developing a method to accurately and efficiently predict chemical reactions in liquid solutions, which would help agribusinesses, fuel ...

To manufacture medicines, chemists must find the right combinations of chemicals to make the necessary chemical structures. This is more complicated than it sounds, as typical chemical reactions ...

In the production of chemical compounds, the success of each individual reaction depends on numerous parameters. It is not always possible, even for experienced chemists, to predict whether a reaction ...

TROY — A scientist at Rensselaer Polytechnic Institute has created a coronavirus transmission model inspired by one he uses to predict chemical reactions to help the Centers for Disease Control and ...

Using machine learning, MIT chemical engineers have created a computational model that can predict how well any given molecule will dissolve in an organic solvent—a key step in the synthesis of nearly ...

In a paper published on arXiv by researchers at IBM and being presented at this week’s Neural Information Processing Systems (NIPS) conference, the researchers demonstrate that by treating reaction ...

In science, the pursuit of truth requires constant experimentation and, inevitably, a few failures along the way. But that's okay, because learning from those failures is often necessary in order to ...

Researchers overcome computational limitations to predict the starting materials of multi-step reactions using only information about the target product molecule. Have you ever only caught the end of ...