Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry.

Matthias RuppO Anatole von LilienfeldKieron Burke

Published in: The Journal of chemical physics (2018)

A survey of the contributions to the Special Topic on Data-enabled Theoretical Chemistry is given, including a glossary of relevant machine learning terms.

Keyphrases

machine learning
big data
electronic health record
drug discovery
artificial intelligence
deep learning