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reaction database

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3 results in Keywords: reaction database

Theoretical and Computational Chemistry

Simple User-Friendly Reaction Format

David F. Nippa, Alex T. Müller, Kenneth Atz, David B. Konrad, Uwe Grether, Rainer E. Martin, Gisbert Schneider

Version 2 posted 07 May 2024

1,300

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3

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Theoretical and Computational Chemistry

Theoretical chemical reaction database construction based on quantum chemistry-aided retrosynthetic analysis

Yu Harabuchi, Satoshi Maeda

Version 1 posted 22 November 2022

590

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5

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Organic Chemistry

Comprehensive exploration of graphically defined reaction spaces

Qiyuan Zhao, Sai Mahit Vaddadi, Michael Woulfe, Lawal Ogunfowora, Sanjay Garimella, Olexandr Isayev, Brett Savoie

Version 1 posted 21 November 2022

729

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1

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