Historically, the vast majority of pharmaceutical drugs have been meticulously designed down to the atomic level.

A new “periodic table for machine learning,” is reshaping how researchers explore AI, unlocking fresh pathways for discovery.

Historically, small molecule drugs have been precisely designed down to the atomic scale. Considering their relatively large complex structures, nanomedicines have lagged behind. Researchers argue ...

The willingness of the 4f orbitals of lanthanide metals to participate in chemical reactions is as rare as their presence in ...

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...