A team led by the Laboratory of Molecular Nanoscience of the Faculty of Chemistry at the University of Barcelona has designed a new molecular compound based on gadolinium (Gd), a chemical element that ...

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 ...

Polypharmacology drugs—compounds that inhibit multiple proteins—have many applications but are difficult to design. To address this challenge we have developed POLYGON, an approach to polypharmacology ...

In the field of organic chemistry, scientists are always looking out for new types of reactions to unlock synthesis routes for challenging compounds. Most of the progress that we have witnessed in ...