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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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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:ACS Cent Sci
Egile Nagusiak: Häse, Florian, Roch, Loïc M., Kreisbeck, Christoph, Aspuru-Guzik, Alán
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2018
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC6161047/
https://ncbi.nlm.nih.gov/pubmed/30276246
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.8b00307
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