In silico is an expression used to describe work performed by a computer. For years attempts have been made to develop in silico resources to improve synthetic planning. Chematica is a computer program that uses a database of molecules and a synthetic algorithm to predict synthetic pathways to molecules. It was developed by Bartosz Grzybowski at Ulsan National Institute of Science and Technology over a period of 15 year. Recently it was sold to MilliporeSigma. Recently the program was challenged to develop route to eight potential pharmacological targets. Within 20 minutes the program had designed routes to the targets, all of which were performed successfully with improvements to all routes compared to literature references. Four of the described synthesis utilized complicated multicomponent reaction which may have been overlooked by human chemists. While Chematica may be a useful tool in synthetic design, many doubt it will replace human ingenuity. |
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December 2021
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