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Xiaojun Yao

3 results in Authors: Xiaojun Yao

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

1,439

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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

462

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1

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Organic Chemistry

A Quantitative Ring Complexity Index for Profiling Ring Topology and Chemical Diversity

Jianmin Wang, Kai Xu, Tengfei Ma, Xudong Zhang, Pengsen Ma, Chunyan Li, Weiran Huang, Meng Wang, Xiaojun Yao, Tao Song, Xiangxiang Zeng

Version 2 posted 02 April 2025

410

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