Cargando…
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 pred...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9811563/ https://www.ncbi.nlm.nih.gov/pubmed/36743887 http://dx.doi.org/10.1039/d2sc05089g |