RUDN University chemists, biologists and physicians have found a simple way to predict the properties of compounds of drugs with metals. This can be done using topological indices - numbers that ...

In principle, however, these properties can be seen everywhere. In molecules, the wave properties of atomic nuclei are obvious and can be observed in the internal vibrations of the atomic nuclei ...

The illustration depicts some of the innovative ideas that underpin the new machine learning model that can quickly and accurately predict the dielectric function of simple molecules, such as shifting ...

Rodrigo Ledesma-Aguilar does not work for, consult, own shares in or receive funding from any company or organization that would benefit from this article, and has disclosed no relevant affiliations ...