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4 results in Authors: Xiaorui Wang

Biological and Medicinal Chemistry

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

WANXIANG SHEN, Chao Cui, Xiaorui Su, Zaixi Zhang, Alejandro Velez-Arce, Jianming Wang, Xiang Cheng Shi, Yan Bing Zhang, Jie Wu, Yu Zong Chen, Marinka Zitnik

Version 2 posted 07 November 2024

938

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Organic Chemistry

RetroPrime: A Chemistry-Inspired and Transformer-based Method for Retrosynthesis Predictions

Xiaorui Wang, Jiezhong Qiu, Yuquan Li, Guangyong Chen, Huanxiang Liu, Ben Liao, Chang-Yu Hsieh, Xiaojun Yao

Version 2 posted 26 November 2020

1,322

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1

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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

422

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1

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Organic Chemistry

Transition Metal Free Sandmeyer-Type Reductive Disulfuration of Anilines

Shiqi Chen, Si Cao, Chaoyang Liu, Baoxu Wang, Xiaorui Ren, Hang Huang, Xi Wang

Version 1 posted 28 May 2021

365

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1

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