Apparently the lessons of Alphago (and many others) are being applied to
"The authors devised a computational process that starts by automatically
extracting chemical transformations from a large commercial database, being
careful to include only reactions that have been reported several times.
Their system accepts these well-precedented reactions as ‘allowed moves’ in
organic synthesis. When the system is asked to devise a synthetic route to
a target molecule, it works backwards from the target as would a human,
picking out the most promising precursor molecules according to the design
rules that it has learnt, and then seeing how feasible it is to synthesize
those. The authors combined three artificial neural networks with a random
Monte Carlo tree search — a type of search algorithm used by computers in
certain decision-making processes — to narrow down the most promising
synthetic routes, without getting stuck too quickly on a particular path."
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