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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

759

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Theoretical and Computational Chemistry

Working Paper

Physics-Inspired Machine Learning of Localized Intensive Properties

Ke Chen, Christian Kunkel, Bingqing Cheng, Karsten Reuter, Johannes T. Margraf

Version 1 posted 21 February 2023

467

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Energy

Review

The Fluorine Toolbox: from Molecular Design to Advanced Batteries

Yiqing Wang, Zhenzhen Wu, Faezeh Azad, Yutong Zhu, Lianzhou Wang, Craig Hawker, Andrew Whittaker, Maria Forsyth, CHENG ZHANG

Version 1 posted 16 June 2023

747

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Catalysis

Working Paper

Photo-Chlorination of Linear Alkanes with 2-Position Selectivity Using a Metal-Organic Layer Catalyst

Huihui Hu, Yuming Su, Xiaoqi Cui, Boxuan Zhao, Jiawei Chen, Suyang Chen, Manting Chen, Haohua Huo, Cheng Wang

Version 1 posted 11 August 2022

362

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Inorganic Chemistry

Working Paper

Defect Control Strategies for Al(1-x)Gd(x)N Alloys

Naseem Ud Din, Cheng-Wei Lee, Keisuke Yazawa, William Nemeth, Rebecca W. Smaha, Nancy M. Haegel, Prashun Gorai

Version 1 posted 22 May 2023

361

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Organic Chemistry

Working Paper

Concise Total Syntheses of Phleghenrines A and C

Xinpei Cai, Lei Li, Ye-Cheng Wang, Jianhan Zhou, MINGJI DAI

Version 1 posted 26 May 2023

980

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1

Citations

Materials Science

Working Paper

An exfoliable transition metal chalcogenide semiconductor NbSe2I2

Kejian Qu, Yue Zhang, Cheng Peng, Zachary W. Riedel, Juyeon Won, Rong Zhang, Toby J. Woods, Thomas P. Devereaux, Arend M. van der Zande, Daniel P. Shoemaker

Version 2 posted 09 October 2023

336

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Materials Chemistry

Working Paper

Boron Nitride Nanotube and Nanosheet Synthesis by Flash Joule Heating

Jinhang Chen, John Li, Weiyin Chen, Kevin Wyss, Yi Cheng, Qiming Liu, Obinna Onah, James Tour

Version 1 posted 30 April 2024

406

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Theoretical and Computational Chemistry

Working Paper

Multimodal Image Registration and Fusion Offer Better Spatial Resolution for Mass Spectrometry Imaging

Lei Guo, Jinyu Zhu, Keqi Wang, Kian-Kai Cheng, Jingjing Xu, Liheng Dong, Xiangnan Xu, Can Chen, Mudassir Shah, Zhangxiao Peng, Jianing Wang, Zongwei Cai, Jiyang Dong

Version 2 posted 21 December 2022

409

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Materials Chemistry

Working Paper

Discovering a Herbicide Terminator: The Role of Metals in Eliminating Glyphosate by Metal-Organic Frameworks

Kyriakos Stylianou, Nan Chieh Chiu, Jacob Lessard, Emmanuel Nyela Musa, Logan Lancaster, Clara Wheeler, Taylor Krueger, Cheng Chen, Trenton Gallagher, Makenzie Nord, Hongliang Huang, Paul Ha-Yeon Cheong, Chong Fang

Version 1 posted 18 October 2023

204

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340 results in Cheng Cheng in Authors: Cheng Cheng

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

Physics-Inspired Machine Learning of Localized Intensive Properties

The Fluorine Toolbox: from Molecular Design to Advanced Batteries

Photo-Chlorination of Linear Alkanes with 2-Position Selectivity Using a Metal-Organic Layer Catalyst

Defect Control Strategies for Al(1-x)Gd(x)N Alloys

Concise Total Syntheses of Phleghenrines A and C

An exfoliable transition metal chalcogenide semiconductor NbSe2I2

Boron Nitride Nanotube and Nanosheet Synthesis by Flash Joule Heating

Multimodal Image Registration and Fusion Offer Better Spatial Resolution for Mass Spectrometry Imaging

Discovering a Herbicide Terminator: The Role of Metals in Eliminating Glyphosate by Metal-Organic Frameworks

340 results in Authors: Cheng Cheng