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.
CITATION STYLE
Butler, K. T., Davies, D. W., Cartwright, H., Isayev, O., & Walsh, A. (2018, July 26). Machine learning for molecular and materials science. Nature. Nature Publishing Group. https://doi.org/10.1038/s41586-018-0337-2
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