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Atom Environments

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2 results in Keywords: Atom Environments

Theoretical and Computational Chemistry

Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments

Umit Volkan Ucak, Islambek Ashyrmamatov, Junsu Ko, Juyong Lee

Version 4 posted 16 February 2022

1,234

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Theoretical and Computational Chemistry

Refining EI-MS library search results through atomic-level insights

Umit Volkan Ucak, Islambek Ashyrmamatov, Juyong Lee

Version 2 posted 14 May 2024

229

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