In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

The earliest stage of drug discovery is governed by a simple constraint: there are far more possible drug-like molecules than any pharmaceutical laboratory could ever test. A new deep learning system, ...

(Nanowerk Spotlight) The pursuit of more efficient organic electronics, from OLED displays to organic solar cells, has been an enduring challenge across materials science. But the vastness of possible ...