For Work / Against Work
Debates on the centrality of work

"Machine learning for molecular and materials science"

by Butler, Keith T; Davies, Daniel W; Cartwright, Hugh; Isayev, Olexandr; Walsh, Aron (2018)


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.


No Keywords


AI and Science

Links to Reference



How to contribute.