Integrating synthetic accessibility with AI-based generative drug design

Generative models are frequently used for de novo design in drug discovery projects to propose new molecules. However, the question of whether or not the generated molecules can be synthesized is not systematically taken into account during generation, even though being able to synthesize the genera...

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Detalles Bibliográficos
Autores principales: Parrot, Maud, Tajmouati, Hamza, da Silva, Vinicius Barros Ribeiro, Atwood, Brian Ross, Fourcade, Robin, Gaston-Mathé, Yann, Do Huu, Nicolas, Perron, Quentin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10507964/
https://www.ncbi.nlm.nih.gov/pubmed/37726842
http://dx.doi.org/10.1186/s13321-023-00742-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10507964/
https://www.ncbi.nlm.nih.gov/pubmed/37726842
http://dx.doi.org/10.1186/s13321-023-00742-8

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