Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery
The field of predictive chemistry relates to the development of models able to describe how molecules interact and react. It encompasses the long-standing task of computer-aided retrosynthesis, but is far more reaching and ambitious in its goals. In this review, we summarize several areas where pr...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC)
2023
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| Online Access: | https://hdl.handle.net/1721.1/148455 |