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

Understanding what complex chemical measurements reveal about materials and reactions can take weeks or months of analysis. But now, an AI-powered platform developed by researchers at the Department ...

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 ...

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 ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

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 ...