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6 results in Authors: Shuangjia Zheng

Theoretical and Computational Chemistry

Working Paper

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

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

Version 5 posted 22 May 2020

2,000

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Theoretical and Computational Chemistry

Working Paper

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

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

Version 1 posted 28 September 2020

1,357

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Theoretical and Computational Chemistry

Working Paper

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

Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu

Version 2 posted 14 November 2018

2,727

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Citations

Theoretical and Computational Chemistry

Working Paper

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

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

Version 1 posted 03 July 2019

805

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Biological and Medicinal Chemistry

Working Paper

RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist

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

Version 5 posted 05 November 2020

2,517

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Theoretical and Computational Chemistry

Working Paper

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

Version 1 posted 24 May 2021

773

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6 results in Shuangjia Zheng in Authors: Shuangjia Zheng

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

Deep Scaffold Hopping with Multi-modal Transformer Neural Networks

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

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist

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

6 results in Authors: Shuangjia Zheng