• Now, researchers from Massachusetts Institute of Technology (MIT) and International Business Machines (IBM) have together devised a method for computationally generating molecules that combines the power of machine learning with so-called grammars of graphs.

  • Artificial intelligence (AI) techniques, especially the use of machine learning algorithms, are in vogue today to find new molecular structures

  • An alternative to these deep learning methods is the use of formal grammar. Grammar, in the context of languages, provides rules for how sentences can be constructed from words. We can design chemical grammars that specify rules for building molecules from atoms