https://phys.org/news/2018-07-rapid-machine-chemical-sciences.html

Designing materials for a specific demand is a mind-boggling task; a random mix-and-match of atomic building blocks could yield any one of an infinite number of possible compounds. Historically, the discovery of materials has involved a combination of chance, intuition, and trial and error—but this could all be set to change thanks to artificial intelligence.

An international team of scientists from the UK and the USA, including Ph.D. student Daniel Davies from the Centre for Sustainable Chemical Technologies and Department of Chemistry, published a review on the growing potential of machine learning for chemical design.