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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

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