In a recent review article published in the journal Annual Review of Analytical Chemistry, researchers highlighted the transformative role of machine learning (ML) in advancing mass spectrometry (MS) ...

A group of researchers are launching an open-source database of chemical synthesis procedures that they think will benefit artificial intelligence algorithms for reaction prediction, synthesis ...

A new chemical reaction method is only as valuable as the chemistry it makes possible. So a paper that describes a new reaction will almost always include a table of compounds that researchers tested ...

Single-molecule magnets (SMMs) are exciting materials. In a recent breakthrough, researchers have used deep learning to predict SMMs from 20,000 metal complexes. The predictions were made solely based ...