Scientists have revolutionised the world’s largest database for cancer drug discovery by adding 3D structures of faulty proteins and maps of cancer’s communication networks, paving the way for more effective treatments. The new version of canSAR database uses artificial intelligence to identify nooks and crannies on the surface of faulty cancer—causing molecules, as a key step in designing new drugs to block them.

The database has already collated billions of experimental measurements mapping the actions of one million drugs and chemicals on human proteins, and has combined these data with genetic information and results from clinical trials. It allows scientists to identify communication lines that can be intercepted within tumour cells, opening up potential new approaches for cancer treatment.

The growing database now holds the 3D structures of almost three million cavities on the surface of nearly 110,000 molecules. CanSAR is a massively powerful resource that’s used globally by researchers to gain rapid and easy to use access to a huge wealth of integrated knowledge in biology, chemistry and cancer medicine.