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Organic Chemistry

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Physical Chemistry

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Hongyi Liu

4 results in Authors: Hongyi Liu

Materials Science

Post-Pretraining Large Language Model Enabled Reverse Design of MOFs for Hydrogen Storage

Zhimeng Liu, Yuqiao Su, Yujie Guo, Jing Lin, Shulin Wang, Zeyang Song, Zuoshuai Xi, Hongyi Gao, Lei Shi, Ge Wang

Version 1 posted 21 March 2024

382

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Organic Chemistry

Computationally-Assisted Discovery and computational NMR Assignment of a Highly-binding PXR Natural Diterpenoids

Zhiwei Bian, Hongyi Li, Jiabao Liu, Xiaoying Liu, Shian Hu, Daneel Ferreira, Mark T. Hamann, Shengpeng Wang, Yeun-Mun Choo, Xiaojuan Wang

Version 1 posted 20 October 2023

173

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Physical Chemistry

Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Molecules

Yan Xiang, Yu-Hang Tang, Hongyi Liu, Guang Lin, Huai Sun

Version 1 posted 03 March 2021

419

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Organic Chemistry

Informatics and Computationally Assisted Discovery of Anti-Inflammatory Diterpenoids from Isodon rubescens

Xiaoying Liu, Zhiwei Bian, Hongyi Li, Shian Hu, Daneel Ferreira, Mark Hamann, Shengpeng Wang, Xiaojuan Wang

Version 1 posted 20 October 2023

170

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