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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(5)

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Working Paper

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Shuangjia Zheng

6 results in Authors: Shuangjia Zheng

Biological and Medicinal Chemistry

RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist

Chaochao Yan, Qianggang Ding, Peilin Zhao, Shuangjia Zheng, Jinyu Yang, Yang Yu, Junzhou Huang

2,134

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Theoretical and Computational Chemistry

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

Shuangjia Zheng, Zengrong Lei, Haitao Ai, Hongming Chen, Daiguo Deng, Yuedong Yang

1,259

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4

Citations

Theoretical and Computational Chemistry

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

657

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Theoretical and Computational Chemistry

Identifying Structure-Property Relationships through SMILES Syntax Analysis With Self-Attention Mechanism

Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu

2,147

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1

Citations

Theoretical and Computational Chemistry

A Deep Learning Based Scaffold Hopping Strategy for the Design of Kinase Inhibitors

Lizhao Hu, Yuyao Yang, Shuangjia Zheng, Jun Xu, Ting Ran, Hongming Chen

604

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Theoretical and Computational Chemistry

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

Yuyao Yang, Shuangjia Zheng, Shimin Su, Jun Xu, Hongming Chen

1,809

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