Machine learning for molecular and materials science

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, characterizatio...

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Veröffentlicht in:Nature 2018-07, Vol.559 (7715), p.547-555
Hauptverfasser: Butler, Keith T., Davies, Daniel W., Cartwright, Hugh, Walsh, Aron
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0028-0836
1476-4687
DOI:10.1038/s41586-018-0337-2