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Physical Chemistry

Working Paper

Activating Room-Temperature Phosphorescence of Organic Luminophores via External Heavy-Atom Effect and Rigidity of Ionic Polymer Matrix

Xiang Ma, Zi-Ang Yan, Xiaohan Lin, Siyu Sun, He Tian

Version 1 posted 07 May 2021

588

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Analytical Chemistry

Working Paper

Feature-Based Molecular Networking Analysis of the Metabolites Produced by in vitro Solid-State Fermentation Reveals Pathways for the Bioconversion of Epigallocatechin Gallate

Hao-Fen Xie, Ya-Shuai Kong, Ru-Ze Li, Louis-Felix Nothias, Alexey V. Melnik, Hong Zhang, Lu-Lu Liu, Ting-Ting An, Rui Liu, Zi Yang, Jia-Ping Ke, Peng Zhang, Guan-Hu Bao, Zhong-Wen Xie, Da-Xiang Li, Xiaochun Wan, Qian-Ying Dai, Liang Zhang, Ming Zhao, Mao-Qiang An, Yan-Hua Long, Tie-Jun Ling

Version 4 posted 13 May 2020

2,501

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Physical Chemistry

Working Paper

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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Theoretical and Computational Chemistry

Working Paper

A Comparative Study of Marginalized Graph Kernel and Message Passing Neural Network

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

Version 2 posted 21 July 2021

726

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Materials Chemistry

Working Paper

Accelerated Synthesis and Discovery of Covalent Organic Framework Photocatalysts for Hydrogen Peroxide Production

Wei Zhao, Peiyao Yan, Boyu Li, Mounib Bahri, Lunjie Liu, Xiang Zhou, Rob Clowes, Nigel D. Browning, Yue Wu, John W. Ward, Andrew I. Cooper

Version 1 posted 10 March 2022

962

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Theoretical and Computational Chemistry

Working Paper

Interpretable Molecular Property Predictions Using Marginalized Graph Kernels

Yan Xiang, Yu-Hang Tang, Guang Lin, Daniel Reker

Version 1 posted 20 February 2023

467

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Catalysis

Working Paper

IntEnzyDB: an Integrated Structure-Kinetics Enzymology Database

Bailu Yan, Xinchun Ran, Anvita Gollu, Zihao Cheng, Xiang Zhou, Yiwen Chen, Zhongyue Yang

Version 1 posted 05 July 2022

480

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Biological and Medicinal Chemistry

Working Paper

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

942

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Organometallic Chemistry

Working Paper

Construction of N−E bonds via Lewis acid-promoted functionalization of chromium-dinitrogen complexes

Zhubao Yin, Gao-Xiang Wang, Xuechao Yan, Junnian Wei, Zhenfeng Xi

Version 1 posted 17 September 2024

158

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Materials Chemistry

Working Paper

Identification of Two-Dimensional Covalent Organic Frameworks with mcm Topology and their Application in Photocatalytic Hydrogen Evolution

Peng-Ju Tian, Xiang-Hao Han, Qiao-Yan Qi, Xin Zhao

Version 1 posted 13 March 2024

658

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14 results in Yan Xiang in Authors: Yan Xiang

Activating Room-Temperature Phosphorescence of Organic Luminophores via External Heavy-Atom Effect and Rigidity of Ionic Polymer Matrix

Feature-Based Molecular Networking Analysis of the Metabolites Produced by in vitro Solid-State Fermentation Reveals Pathways for the Bioconversion of Epigallocatechin Gallate

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

A Comparative Study of Marginalized Graph Kernel and Message Passing Neural Network

Accelerated Synthesis and Discovery of Covalent Organic Framework Photocatalysts for Hydrogen Peroxide Production

Interpretable Molecular Property Predictions Using Marginalized Graph Kernels

IntEnzyDB: an Integrated Structure-Kinetics Enzymology Database

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

Construction of N−E bonds via Lewis acid-promoted functionalization of chromium-dinitrogen complexes

Identification of Two-Dimensional Covalent Organic Frameworks with mcm Topology and their Application in Photocatalytic Hydrogen Evolution

14 results in Authors: Yan Xiang