Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for virtual screening or training semi-supervized predictive models i...

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Detalles Bibliográficos
Autores principales: Polykovskiy, Daniil, Zhebrak, Alexander, Sanchez-Lengeling, Benjamin, Golovanov, Sergey, Tatanov, Oktai, Belyaev, Stanislav, Kurbanov, Rauf, Artamonov, Aleksey, Aladinskiy, Vladimir, Veselov, Mark, Kadurin, Artur, Johansson, Simon, Chen, Hongming, Nikolenko, Sergey, Aspuru-Guzik, Alán, Zhavoronkov, Alex
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7775580/
https://www.ncbi.nlm.nih.gov/pubmed/33390943
http://dx.doi.org/10.3389/fphar.2020.565644

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7775580/
https://www.ncbi.nlm.nih.gov/pubmed/33390943
http://dx.doi.org/10.3389/fphar.2020.565644

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