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Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data

[Image: see text] The past decade has seen a number of impressive developments in predictive chemistry and reaction informatics driven by machine learning applications to computer-aided synthesis planning. While many of these developments have been made even with relatively small, bespoke data sets,...

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Detalles Bibliográficos
Autores principales: Mercado, Rocío, Kearnes, Steven M., Coley, Connor W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10369484/
https://www.ncbi.nlm.nih.gov/pubmed/37405398
http://dx.doi.org/10.1021/acs.jcim.3c00607