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Illuminating elite patches of chemical space

In the past few years, there has been considerable activity in both academic and industrial research to develop innovative machine learning approaches to locate novel, high-performing molecules in chemical space. Here we describe a new and fundamentally different type of approach that provides a hol...

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Detalles Bibliográficos
Autores principales: Verhellen, Jonas, Van den Abeele, Jeriek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8162856/
https://www.ncbi.nlm.nih.gov/pubmed/34094392
http://dx.doi.org/10.1039/d0sc03544k

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