Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Speeding up drug discovery in the age of AI may come down to a concept that's comfortingly old-fashioned: Consulting a ...

A preprint posted by researchers at artificial intelligence (AI)-based drug developer Insilico Medicine plots a two-pronged roadmap that aims to address two key questions in drug discovery: How can ...

“For the first time, this strategy allows us to efficiently and precisely create a structural motif that was previously difficult to access,” says Friedmann. Specifically, the chemists have discovered ...