Cargando…
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans
As the programs for computer-aided retrosynthetic design come of age, they are no longer identifying just one or few synthetic routes but a multitude of chemically plausible syntheses, together forming large, directed graphs of solutions. An important problem then emerges: how to select from these g...
Autores principales: | Badowski, Tomasz, Molga, Karol, Grzybowski, Bartosz A. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6495691/ https://www.ncbi.nlm.nih.gov/pubmed/31123574 http://dx.doi.org/10.1039/c8sc05611k |
Ejemplares similares
-
Computational design of syntheses leading to compound libraries or isotopically labelled targets
por: Molga, Karol, et al.
Publicado: (2019) -
Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
por: Szymkuć, Sara, et al.
Publicado: (2020) -
Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning
por: Thakkar, Amol, et al.
Publicado: (2021) -
Automatic retrosynthetic route planning using template-free models
por: Lin, Kangjie, et al.
Publicado: (2020) -
Learning Retrosynthetic Planning through Simulated
Experience
por: Schreck, John S., et al.
Publicado: (2019)