Li‐Cheng Xu - Publications, H-index & Citations

Li‐Cheng Xu

Shanghai Academy of Artificial Intelligence for Science

10H指数

31论文数

609被引数

收录论文 9

发表时间

Automated transition state generation for mechanistic exploration in organic synthesis 有机合成中机理探索的自动过渡态生成

Nature Communications

IF15.7

2026-08-27

OAAI

Li-Cheng Xu; Junyi An; Weiqi Liu; Yun-Fei Shi; Chong-Lei Ji; Fenglei Cao; Yuan Qi

Transforming Molecular Synthesis With Large Language Models 利用大型语言模型改造分子合成

Chemistry - A European Journal

IF3.7

2026-04-29

PREAI

Li-Cheng Xu; De-Xin Zhu; Miao-Jiong Tang; Ting-Ting Liu; Yi-Ze Liu; Chun-Hui Ma; Zhe-Xu Li; Shuo-Qing Zhang; Xin Hong

Electrocatalyzed direct arene alkenylations without directing groups for selective late-stage drug diversification

NATURE COMMUNICATIONS

IF15.7

2023-07-15

OAAI

Lin, Zhipeng; Dhawa, Uttam; Hou, Xiaoyan; Surke, Max; Yuan, Binbin; Li, Shu-Wen; Liou, Yan-Cheng; Johansson, Magnus J.; Xu, Li-Cheng; Chao, Chen-Hang; Hong, Xin; Ackermann, Lutz

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge 基于化学知识的外推和可解释图模型的反应性能预测

NATURE COMMUNICATIONS

IF15.7

2023-06-15

OAAI

Li, Shu-Wen; Xu, Li-Cheng; Zhang, Cheng; Zhang, Shuo-Qing; Hong, Xin

Exploring Spectrum-based Molecular Descriptors for Reaction Performance Prediction 基于光谱的分子描述符用于反应性能预测的探索

CHEMISTRY-AN ASIAN JOURNAL

IF3.3

2023-02-24

OAAI

Tang, Miao-Jiong; Xu, Li-Cheng; Zhang, Shuo-Qing; Hong, Xin

Enantioselectivity prediction of pallada-electrocatalysed C-H activation using transition state knowledge in machine learning

NATURE SYNTHESIS

IF20

2023-01-30

PREAI

Xu, Li-Cheng; Frey, Johanna; Hou, Xiaoyan; Zhang, Shuo-Qing; Li, Yan-Yu; Oliveira, Joao C. A.; Li, Shu-Wen; Ackermann, Lutz; Hong, Xin

Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2022-11-27

OAAI

Zhang, Shuo-Qing; Xu, Li-Cheng; Li, Shu-Wen; Oliveira, Joao C. A.; Li, Xin; Ackermann, Lutz; Hong, Xin

When machine learning meets molecular synthesis

TRENDS IN CHEMISTRY

IF13.6

2022-10-01

PREAI

Oliveira, Joao C. A.; Frey, Johanna; Zhang, Shuo-Qing; Xu, Li-Cheng; Li, Xin; Li, Shu-Wen; Hong, Xin; Ackermann, Lutz

Towards Data-Driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2021-09-12

PREAI

Xu, Li-Cheng; Zhang, Shuo-Qing; Li, Xin; Tang, Miao-Jiong; Xie, Pei-Pei; Hong, Xin

研究方向