Combining generative artificial intelligence and on-chip synthesis for de novo drug design

Automating the molecular design-make-test-analyze cycle accelerates hit and lead finding for drug discovery. Using deep learning for molecular design and a microfluidics platform for on-chip chemical synthesis, liver X receptor (LXR) agonists were generated from scratch. The computational pipeline w...

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Detalles Bibliográficos
Autores principales: Grisoni, Francesca, Huisman, Berend J. H., Button, Alexander L., Moret, Michael, Atz, Kenneth, Merk, Daniel, Schneider, Gisbert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2021
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8195470/
https://www.ncbi.nlm.nih.gov/pubmed/34117066
http://dx.doi.org/10.1126/sciadv.abg3338

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8195470/
https://www.ncbi.nlm.nih.gov/pubmed/34117066
http://dx.doi.org/10.1126/sciadv.abg3338

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