Extracting medicinal chemistry intuition via preference machine learning

The lead optimization process in drug discovery campaigns is an arduous endeavour where the input of many medicinal chemists is weighed in order to reach a desired molecular property profile. Building the expertise to successfully drive such projects collaboratively is a very time-consuming process...

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Detalles Bibliográficos
Autores principales: Choung, Oh-Hyeon, Vianello, Riccardo, Segler, Marwin, Stiefl, Nikolaus, Jiménez-Luna, José
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10618272/
https://www.ncbi.nlm.nih.gov/pubmed/37907461
http://dx.doi.org/10.1038/s41467-023-42242-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10618272/
https://www.ncbi.nlm.nih.gov/pubmed/37907461
http://dx.doi.org/10.1038/s41467-023-42242-1

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