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20162019
most citedMachine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules

97 citations · 97 across the 1 of their papers we have counts for

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physics.chem-ph2018

Rapid Prediction of Electron-Ionization Mass Spectrometry using Neural Networks

Jennifer N. Wei, David Belanger, Ryan P. Adams +1

When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously-collect…

physics.chem-ph2016

Neural networks for the prediction organic chemistry reactions

Jennifer N. Wei, David Duvenaud, Alán Aspuru-Guzik

Reaction prediction remains one of the major challenges for organic chemistry, and is a pre-requisite for efficient synthetic planning. It is desirable to develop algorithms that,…