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Review
. 2018 Jul;559(7715):547-555.
doi: 10.1038/s41586-018-0337-2. Epub 2018 Jul 25.

Machine learning for molecular and materials science

Keith T Butler  1 , Daniel W Davies  2 , Hugh Cartwright  3 , Olexandr Isayev  4 , Aron Walsh  5   6
Affiliations
Free article
Review

Machine learning for molecular and materials science

Keith T Butler et al. Nature. 2018 Jul.
Free article

Abstract

Here we summarize recent progress in machine learning for the chemical sciences. We outline machine-learning techniques that are suitable for addressing research questions in this domain, as well as future directions for the field. We envisage a future in which the design, synthesis, characterization and application of molecules and materials is accelerated by artificial intelligence.

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