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Phoenics: A Bayesian Optimizer for Chemistry

[Image: see text] We report Phoenics, a probabilistic global optimization algorithm identifying the set of conditions of an experimental or computational procedure which satisfies desired targets. Phoenics combines ideas from Bayesian optimization with concepts from Bayesian kernel density estimatio...

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Detalles Bibliográficos
Autores principales:	Häse, Florian, Roch, Loïc M., Kreisbeck, Christoph, Aspuru-Guzik, Alán
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6161047/ https://www.ncbi.nlm.nih.gov/pubmed/30276246 http://dx.doi.org/10.1021/acscentsci.8b00307

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