De novo generation of hit-like molecules from gene expression signatures using artificial intelligence

Finding new molecules with a desired biological activity is an extremely difficult task. In this context, artificial intelligence and generative models have been used for molecular de novo design and compound optimization. Herein, we report a generative model that bridges systems biology and molecul...

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Detalles Bibliográficos
Autores principales: Méndez-Lucio, Oscar, Baillif, Benoit, Clevert, Djork-Arné, Rouquié, David, Wichard, Joerg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6941972/
https://www.ncbi.nlm.nih.gov/pubmed/31900408
http://dx.doi.org/10.1038/s41467-019-13807-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6941972/
https://www.ncbi.nlm.nih.gov/pubmed/31900408
http://dx.doi.org/10.1038/s41467-019-13807-w

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