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reaction template

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3 results in Keywords: reaction template

Chemical Engineering and Industrial Chemistry

NeuralTPL: a deep learning approach for efficient reaction space exploration

Yue Wan, Xin Li, Xiaorui Wang, Xiaojun Yao, Benben Liao, Cheng-Yu Hsieh, Shengyu Zhang

Version 1 posted 08 December 2021

417

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1

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Theoretical and Computational Chemistry

AutoTemplate: Enhancing Chemical Reaction Datasets for Machine Learning Applications in Organic Chemistry

Lung-Yi Chen, Yi-Pei Li

Version 1 posted 15 March 2024

339

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Theoretical and Computational Chemistry

Site-Specific Template Generative Approach for Retrosynthetic Planning

Yu Shee, Haote Li, Pengpeng Zhang, Andrea Nikolic, Sanil Sreekumar, Frédéric Buono, Jinhua Song, Timothy Newhouse, Victor Batista

Version 1 posted 25 April 2024

484

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