Everything we can see and touch, and quite a lot that we can’t as well, is made of tiny particles called atoms. Some substances, like particles of this iron, contain only one kind of atom. Iron is an ...

The structural diversity of chemical libraries, which are systematic collections of compounds that have potential to bind to biomolecules, can be represented by chemical latent space. A chemical ...

Predicting assay results for compounds virtually using chemical structures and phenotypic profiles has the potential to reduce the time and resources of screens for drug discovery. Here, we evaluate ...