High throughput screening of candidate drug structures to inhibit “druggable” targets in disease seems like a perfect application of artificial intelligence (AI) as it involves grinding through thousands of variables with known or desired physicochemical properties and lots of big data from protein structures. But does AI perform better than the modeling tools we already have? A team from The Weizmann Institute of Science in Rehovot, Israel and Iowa State University in Ames, Iowa recently published work that aimed to answer this question. [...]