Volume 95 Issue 4 | p. 28
Issue Date: January 23, 2017

Cover Stories

New directions for machine learning

Algorithms that have changed daily life move into the lab
Department: Science & Technology
Keywords: computational chemistry, physical chemistry, pharmaceuticals, drug discovery, synthesis, green chemistry, medicinal chemistry, reagents, business, start-ups, informatics, publishing


Applications such as spam filtering, economic forecasting, and Netflix recommendations are powered by algorithms that allow computers to learn from and make predictions based on vast collections of data. But even as machine learning has purged e-mail inboxes of Vi@gra, the technology has been slower to infiltrate chemistry.

As described in this collection of stories, however, the gap is starting to fill. Some researchers are . . .

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