Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning

Computer aided synthesis planning (CASP) is part of a suite of artificial intelligence (AI) based tools that are able to propose synthesis routes to a wide range of compounds. However, at present they are too slow to be used to screen the synthetic feasibility of millions of generated or enumerated...

Descripción completa

Detalles Bibliográficos
Autores principales: Thakkar, Amol, Chadimová, Veronika, Bjerrum, Esben Jannik, Engkvist, Ola, Reymond, Jean-Louis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179384/
https://www.ncbi.nlm.nih.gov/pubmed/34164104
http://dx.doi.org/10.1039/d0sc05401a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179384/
https://www.ncbi.nlm.nih.gov/pubmed/34164104
http://dx.doi.org/10.1039/d0sc05401a

Ejemplares similares