ingredients

Chemistry

Chemistry ChatGPT for new drugs: Researchers train AI to predict potential active ingredients

Three-dimensional structures of two target proteins, histone deacetylase 6 (blue) and tyrosine protein kinase JAK2 (red), and selective inhibitors of each enzyme. The central dual inhibitor is active against both targets. Prediction of compounds with predefined dual target activities is the task of chemical language models. Credit: Sanjana Srinivasan & Jürgen Bajorath Researchers at the University of Bonn have trained…