Navigating chemical reaction space – application to DNA-encoded chemistry

Databases contain millions of reactions for compound synthesis, rendering selection of reactions for forward synthetic design of small molecule screening libraries, such as DNA-encoded libraries (DELs), a big data challenge. To support reaction space navigation, we developed the computational workfl...

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Detalles Bibliográficos
Autores principales: Chines, Silvia, Ehrt, Christiane, Potowski, Marco, Biesenkamp, Felix, Grützbach, Lars, Brunner, Susanne, van den Broek, Frederik, Bali, Shilpa, Ickstadt, Katja, Brunschweiger, Andreas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9517168/
https://www.ncbi.nlm.nih.gov/pubmed/36320474
http://dx.doi.org/10.1039/d2sc02474h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9517168/
https://www.ncbi.nlm.nih.gov/pubmed/36320474
http://dx.doi.org/10.1039/d2sc02474h

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