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Defining Levels of Automated Chemical Design

[Image: see text] One application area of computational methods in drug discovery is the automated design of small molecules. Despite the large number of publications describing methods and their application in both retrospective and prospective studies, there is a lack of agreement on terminology a...

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Detalles Bibliográficos
Autores principales: Goldman, Brian, Kearnes, Steven, Kramer, Trevor, Riley, Patrick, Walters, W. Patrick
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9150065/
https://www.ncbi.nlm.nih.gov/pubmed/35511951
http://dx.doi.org/10.1021/acs.jmedchem.2c00334