Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

For R&D leaders evaluating AI investments, I’d offer one piece of advice: Before spending more on models, look hard at your ...

Drug discovery is like molecular Tetris. Chemists snap atoms together, adjusting the pieces until everything fits and suddenly, a molecule makes a promising new medicine. Normally, creating better ...

A research team developed artificial intelligence technology that could find ways to improve researchers' understanding of the chemical reactions involved in ammonia production and other complex ...

Researchers at McMaster University have developed a new generative artificial intelligence (AI) model capable of drastically ...