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

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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Main Authors: Daniil Polykovskiy (Author), Alexander Zhebrak (Author), Benjamin Sanchez-Lengeling (Author), Sergey Golovanov (Author), Oktai Tatanov (Author), Stanislav Belyaev (Author), Rauf Kurbanov (Author), Aleksey Artamonov (Author), Vladimir Aladinskiy (Author), Mark Veselov (Author), Artur Kadurin (Author), Simon Johansson (Author), Hongming Chen (Author), Sergey Nikolenko (Author), Alán Aspuru-Guzik (Author), Alex Zhavoronkov (Author)
Format: Book
Published: Frontiers Media S.A., 2020-12-01T00:00:00Z.
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3rd Floor Main Library

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