Cargando…
Improving the performance of models for one-step retrosynthesis through re-ranking
ABSTRACT: Retrosynthesis is at the core of organic chemistry. Recently, the rapid growth of artificial intelligence (AI) has spurred a variety of novel machine learning approaches for data-driven synthesis planning. These methods learn complex patterns from reaction databases in order to predict, fo...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8922884/ https://www.ncbi.nlm.nih.gov/pubmed/35292121 http://dx.doi.org/10.1186/s13321-022-00594-8 |