Volume 96 Issue 10 | p. 3 | News of The Week
Issue Date: March 5, 2018 | Web Date: March 1, 2018

Chemists test computer-planned syntheses for the first time

Can Chematica plan better synthetic routes than people can? Some chemists are skeptical
By Sam Lemonick
Department: Science & Technology
News Channels: Organic SCENE
Keywords: Synthesis, computational chemistry, Chematica, Grzybowski, MilliporeSigma

Planning efficient synthetic routes can seem like a dark art or feel like a Herculean labor of literature review. Chemists, for the first time, have tested a computer program’s ability to plan complete syntheses without human help, following the proposed routes in the lab (Chem 2018, DOI: 10.1016/j.chempr.2018.02.002).

The idea of a computer planning chemical syntheses isn’t new. Elias J. Corey of Harvard University developed the first version of such . . .

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