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9 results in Authors: Chengyun Zhang

Theoretical and Computational Chemistry

Working Paper

Data Augmentation and Transfer Learning Strategies for Reaction Prediction in Low Chemical Data Regimes

Yun Zhang, Ling Wang, Xinqiao Wang, Chengyun Zhang, Jiamin Ge, Jing Tang, An Su, Hongliang Duan

Version 1 posted 17 December 2020

985

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Theoretical and Computational Chemistry

Working Paper

A Graph-Convolutional Neural Network for Addressing Small-Scale Reaction Prediction

Yejian Wu, Chengyun Zhang, Ling Wang, Hongliang Duan

Version 1 posted 02 February 2021

475

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Theoretical and Computational Chemistry

Working Paper

Reproducing the invention of a named reaction: zero-shot prediction of unseen chemical reactions

An Su, Ling Wang, Xinqiao Wang, Chengyun Zhang, Yejian Wu, Hongliang Duan

Version 2 posted 23 June 2021

695

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Organic Chemistry

Working Paper

New Application of Natural Language Processing（NLP）for Chemist Predicting Intermediate and Providing an Effective Direction for Mechanism Inference

Jiangcheng Xu, Yun Zhang, Jiale Han, Haoran Qiao, Chengyun zhang, Jing Tang, Shen Xi, Bin Sun, Silong Zhai, Xinqiao Wang, Yejian Wu, Weike Su, Hongliang Duan

Version 1 posted 07 September 2021

446

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Citations

Theoretical and Computational Chemistry

Working Paper

Transformer: Linking Atom Mapping and Neural Machine Translation

Chengyun Zhang, Ling Wang, Yejian Wu, Yun Zhang, An Su, Hongliang Duan

Version 1 posted 03 November 2020

494

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Organic Chemistry

Working Paper

From Theory to Experiment: Transformer-Based Generation Enables Rapid Discovery of Novel Reactions

Xinqiao Wang, Chuansheng Yao, Yun Zhang, Jiahui Yu, Haoran Qiao, Chengyun Zhang, Yejian Wu, Renren Bai, Hongliang Duan

Version 2 posted 10 August 2021

412

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Citations

Theoretical and Computational Chemistry

Working Paper

Virtual data augmentation method for reaction prediction in small dataset scenario

Xinyi Wu, Yun Zhang, Jiahui Yu, Chengyun Zhang, Haoran Qiao, Yejian Wu, Zhipeng Wu, Xinqiao Wang, Hongliang Duan

Version 1 posted 09 February 2022

387

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Organic Chemistry

Working Paper

Self-supervised molecular pretraining strategy for low-resource reaction prediction scenarios

Chengyun Zhang, Xiang Cai, Haoran Qiao, Yun Zhang, Yejian Wu, Xinqiao Wang, Haiying Xie, Feng Luo, Hongliang Duan

Version 2 posted 27 July 2021

708

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Theoretical and Computational Chemistry

Working Paper

Forward Reaction Prediction as Reverse Verification: A Novel Approach to Retrosynthesis

Ling Wang, Chengyun Zhang, Renren Bai, Jianjun Li, Hongliang Duan

Version 1 posted 27 October 2020

486

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9 results in Chengyun Zhang in Authors: Chengyun Zhang

Data Augmentation and Transfer Learning Strategies for Reaction Prediction in Low Chemical Data Regimes

A Graph-Convolutional Neural Network for Addressing Small-Scale Reaction Prediction

Reproducing the invention of a named reaction: zero-shot prediction of unseen chemical reactions

New Application of Natural Language Processing（NLP）for Chemist Predicting Intermediate and Providing an Effective Direction for Mechanism Inference

Transformer: Linking Atom Mapping and Neural Machine Translation

From Theory to Experiment: Transformer-Based Generation Enables Rapid Discovery of Novel Reactions

Virtual data augmentation method for reaction prediction in small dataset scenario

Self-supervised molecular pretraining strategy for low-resource reaction prediction scenarios

Forward Reaction Prediction as Reverse Verification: A Novel Approach to Retrosynthesis

9 results in Authors: Chengyun Zhang