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8 results in Authors: Xinqiao Wang

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

435

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Citations

Catalysis

Working Paper

Enabling in vivo Photocatalytic Activation of Rapid Bioorthogonal Chemistry by Repurposing Si-Rhodamine Fluorophores as Cytocompatible Far-Red Photocatalysts

Chuanqi Wang, He Zhang, Tao Zhang, Xiaoyu Zou, Hui Wang, Julia Rosenberger, Raghu Vannam, William Trout, Xinqiao Jia, Zibo Li, Joseph Fox

Version 1 posted 04 January 2021

606

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Organic Chemistry

Working Paper

Generation of novel Diels-Alder reactions using a generative adversarial network

Sheng Li, Xinqiao Wang, Yejian Wu, Hongliang Duan, Lan Tang

Version 1 posted 26 May 2022

230

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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

697

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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

403

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Citations

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

680

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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

955

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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

377

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8 results in Xinqiao Wang in Authors: Xinqiao Wang

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

Enabling in vivo Photocatalytic Activation of Rapid Bioorthogonal Chemistry by Repurposing Si-Rhodamine Fluorophores as Cytocompatible Far-Red Photocatalysts

Generation of novel Diels-Alder reactions using a generative adversarial network

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

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

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

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

Virtual data augmentation method for reaction prediction in small dataset scenario

8 results in Authors: Xinqiao Wang