Bayesian reaction optimization as a tool for chemical synthesis
By Benjamin J. Shields, Jason M. Stevens, Jun Li, Marvin Parasram, Farhan N. Damani, J. I. M. Alvarado, J. Janey, Ryan P. Adams, A. Doyle. Nature, 2021
838 citations recorded by the source corpus.
Subfields: Biomedical Engineering, Computational Theory and Mathematics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/ba22cfff05cad65204860e34c2bb3cdd5f5e8f22
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In Computational Theory and Mathematics
In Materials Chemistry
Citations in the corpus
- Augmenting large language models with chemistry tools (2023, background): “Chemistry, as a field, has been impacted through expert-designed artificial intelligence (AI) systems that tackle specific problems, such as reaction prediction 16–20 , retrosynthesis planning 21–27 , molecular property prediction 28–32 , de-novo molecular generation 33,34 , materials design 35,36 a”