Need to make a molecule? Ask this AI for instructions

April 7, 2018

Need to make a molecule? Ask this AI for instructions #DeepLearning to do better #retrosynthesis. Perhaps other things in chemistry could be learned as well!

“The tool, described in Nature on 28 March1, is not the first software to wield artificial intelligence (AI) instead of human skill and intuition. Yet chemists hail the development as a milestone, saying that it could speed up the process of drug discovery and make organic chemistry more efficient.

“What we have seen here is that this kind of artificial intelligence can capture this expert knowledge,” says Pablo Carbonell, who designs synthesis-predicting tools at the University of Manchester, UK, and was not involved in the work. He describes the effort as “a landmark paper”.”