Their model could make it easier for chemists to design chemical ... such as materials and therapeutic drugs. Computational chemistry is really important for figuring out how to design more ...

A new AI model, React-OT, could revolutionise computational chemistry by predicting transition states with remarkable ...

The potential of this emerging field is vast. And the rate at which researchers are making important strides in developing ...

Computational chemistry describes the use of computer ... Here, the authors introduce a pretrained deep protein language model that significantly reduces training time while maintaining or ...

The potential of computational chemistry to revolutionise cancer treatment in Nigeria represents a paradigm shift in medical ...