Cargando…
AI-Driven Synthetic Route Design Incorporated with Retrosynthesis Knowledge
[Image: see text] Computer-aided synthesis planning (CASP) aims to assist chemists in performing retrosynthetic analysis for which they utilize their experiments, intuition, and knowledge. Recent breakthroughs in machine learning (ML) techniques, including deep neural networks, have significantly im...
Autores principales: | Ishida, Shoichi, Terayama, Kei, Kojima, Ryosuke, Takasu, Kiyosei, Okuno, Yasushi |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8965881/ https://www.ncbi.nlm.nih.gov/pubmed/35258953 http://dx.doi.org/10.1021/acs.jcim.1c01074 |
Ejemplares similares
-
CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration
por: Shibukawa, Ryosuke, et al.
Publicado: (2020) -
Similarity based enzymatic retrosynthesis
por: Sankaranarayanan, Karthik, et al.
Publicado: (2022) -
Alternative design strategies to help build the enzymatic retrosynthesis toolbox
por: Hooe, Shelby L., et al.
Publicado: (2022) -
Computer-Assisted Retrosynthesis Based on Molecular
Similarity
por: Coley, Connor W., et al.
Publicado: (2017) -
Retrosynthesis of multi-component metal−organic frameworks
por: Yuan, Shuai, et al.
Publicado: (2018)