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Shi Xuan Leong

Nanyang Technological University

18H-index
47Paper Count
1.3KCitation Count
Published Papers 23
Publication Date
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Steering towards safe self-driving laboratories
errNature Reviews Chemistry
IF51.7
err2025-08-18
err0
PREAI
errShi Xuan Leong; Caleb E. Griesbach; Rui Zhang; Kourosh Darvish; Yuchi Zhao; Abhijoy Mandal; Yunheng Zou; Han Hao; Varinia Bernales; Alán Aspuru-Guzik
errShare
errSave
MERMaid: Universal multimodal mining of chemical reactions from PDFs using vision-language models
errMatter
IF17.5
err2025-07-25
err0
errOAAI
errShi Xuan Leong; Sergio Pablo-García; Brandon Wong; Alán Aspuru-Guzik
errShare
errSave
El Agente: An autonomous agent for quantum chemistry
errMatter
IF17.5
err2025-07-02
err0
PREAI
errYunheng Zou; Austin H. Cheng; Abdulrahman Aldossary; Jiaru Bai; Shi Xuan Leong; Jorge Arturo Campos-Gonzalez-Angulo; Changhyeok Choi; Cher Tian Ser; Gary Tom; Andrew Wang; Zijian Zhang; Ilya Yakavets; Han Hao; Chris Crebolder; Varinia Bernales; Alán Aspuru-Guzik
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errSave
Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
errOAAI
errCheng, Austin H.; Ser, Cher Tian; Skreta, Marta; Guzman-Cordero, Andres; Thiede, Luca; Burger, Andreas; Aldossary, Abdulrahman; Leong, Shi Xuan; Pablo-Garcia, Sergio; Strieth-Kalthoff, Felix; Aspuru-Guzik, Alan
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errSave
Harnessing Cooperative Multivalency in Thioguanine for Surface-Enhanced Raman Scattering (SERS)-Based Differentiation of Polyfunctional Analytes Differing by a Single Functional Group
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-08-08
err1
PREAI
errNguyen, Lam Bang Thanh; Tan, Emily Xi; Leong, Shi Xuan; Koh, Charlynn Sher Lin; Madhumita, Murugan; Phang, In Yee; Ling, Xing Yi
errShare
errSave
Advancing Energy Systems with In-Situ and Operando Surface-Enhanced Raman Scattering Spectroscopy
errCCS CHEMISTRY
IF9.2
err2024-06-03
err3
PREAI
errBao, Haoming; Leong, Shi Xuan; Chen, Jaslyn Ru Ting; Shi, Zhenhai; Chen, Suli; Lv, Yan; Liu, Tianxi; Phang, In Yee; Ling, Xing Yi
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errSave
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
errADVANCED MATERIALS
IF26.8
err2024-05-25
err6
PREAI
errAldossary, Abdulrahman; Campos-Gonzalez-Angulo, Jorge Arturo; Pablo-Garcia, Sergio; Leong, Shi Xuan; Rajaonson, Ella Miray; Thiede, Luca; Tom, Gary; Wang, Andrew; Avagliano, Davide; Aspuru-Guzik, Alan
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errSave
Forward-predictive SERS-based chemical taxonomy for untargeted structural elucidation of epimeric cerebrosides
errNATURE COMMUNICATIONS
IF15.7
err2024-03-22
err5
errOAAI
errTan, Emily Xi; Leong, Shi Xuan; Liew, Wei An; Phang, In Yee; Ng, Jie Ying; Tan, Nguan Soon; Lee, Yie Hou; Ling, Xing Yi
errShare
errSave
Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err1
errOAAI
errLeong, Shi Xuan; Pablo-Garcia, Sergio; Zhang, Zijian; Aspuru-Guzik, Alan
errShare
errSave
Surface-Enhanced Raman Scattering-Based Surface Chemotaxonomy: Combining Bacteria Extracellular Matrices and Machine Learning for Rapid and Universal Species Identification
errACS NANO
IF16
err2023-11-13
err7
PREAI
errLeong, Shi Xuan; Tan, Emily Xi; Han, Xuemei; Luhung, Irvan; Aung, Ngu War; Nguyen, Lam Bang Thanh; Tan, Si Yan; Li, Haitao; Phang, In Yee; Schuster, Stephan; Ling, Xing Yi
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errSave
Incorporating Chaotropic/Kosmotropic Chemistries onto Plasmonic Nanoheater to Boost Steam Generation Beyond its Photothermal Property
errSMALL
IF12.1
err2023-06-07
err2
PREAI
errChong, Carice; Tan, Zher Nin; Boong, Siew Kheng; Ang, Zhi Zhong; Leong, Shi Xuan; Lee, Yih Hong; Li, Haitao; Lee, Hiang Kwee
errShare
errSave
Where Nanosensors Meet Machine Learning: Prospects and Challenges in Detecting Disease X
errACS NANO
IF16
err2022-09-06
err28
errOAAI
errLeong, Yong Xiang; Tan, Emily Xi; Leong, Shi Xuan; Koh, Charlynn Sher Lin; Nguyen, Lam Bang Thanh; Chen, Jaslyn Ru Ting; Xia, Kelin; Ling, Xing Yi
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errSave
Noninvasive and Point-of-Care Surface-Enhanced Raman Scattering (SERS)-Based Breathalyzer for Mass Screening of Coronavirus Disease 2019 (COVID-19) under 5 min
errACS NANO
IF16
err2022-01-18
err99
errOAAI
errLeong, Shi Xuan; Leong, Yong Xiang; Tan, Emily Xi; Sim, Howard Yi Fan; Koh, Charlynn Sher Lin; Lee, Yih Hong; Chong, Carice; Ng, Li Shiuan; Chen, Jaslyn Ru Ting; Pang, Desmond Wei Cheng; Nguyen, Lam Bang Thanh; Boong, Siew Kheng; Han, Xuemei; Kao, Ya-Chuan; Chua, Yi Heng; Phan-Quang, Gia Chuong; Phang, In Yee; Lee, Hiang Kwee; Abdad, Mohammad Yazid; Tan, Nguan Soon; Ling, Xing Yi
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errSave
Incorporating plasmonic featurization with machine learning to achieve accurate and bidirectional prediction of nanoparticle size and size distribution
errNANOSCALE HORIZONS
IF6.6
err2022-01-01
err12
errOAAI
errTan, Emily Xi; Chen, Yichao; Lee, Yih Hong; Leong, Yong Xiang; Leong, Shi Xuan; Stanley, Chelsea Violita; Pun, Chi Seng; Ling, Xing Yi
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errSave
Emerging nanosensor platforms and machine learning strategies toward rapid, point-of-need small-molecule metabolite detection and monitoring
errChemical Science
IF7.4
err2022-01-01
err19
errOAAI
errLeong, Shi Xuan; Leong, Yong Xiang; Koh, Charlynn Sher Lin; Tan, Emily Xi; Nguyen, Lam Bang Thanh; Chen, Jaslyn Ru Ting; Chong, Carice; Pang, Desmond Wei Cheng; Sim, Howard Yi Fan; Liang, Xiaochen; Tan, Nguan Soon; Ling, Xing Yi
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errSave
Plasmonic Nanoparticle-Metal-Organic Framework (NP-MOF) Nanohybrid Platforms for Emerging Plasmonic Applications
errACS MATERIALS LETTERS
IF8.7
err2021-04-12
err63
PREAI
errKoh, Charlynn Sher Lin; Sim, Howard Yi Fan; Leong, Shi Xuan; Boong, Siew Kheng; Chong, Carice; Ling, Xing Yi
errShare
errSave
Enantiospecific Molecular Fingerprinting Using Potential-Modulated Surface-Enhanced Raman Scattering to Achieve Label-Free Chiral Differentiation
errACS NANO
IF16
err2021-01-05
err38
PREAI
errLeong, Shi Xuan; Koh, Charlynn Sher Lin; Sim, Howard Yi Fan; Lee, Yih Hong; Han, Xuemei; Phan-Quang, Gia Chuong; Ling, Xing Yi
errShare
errSave
In Situ Differentiation of Multiplex Noncovalent Interactions Using SERS and Chemometrics
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2020-06-24
err10
PREAI
errLeong, Shi Xuan; Koh, Li Keng; Koh, Charlynn Sher Lin; Gia Chuong Phan-Quang; Lee, Hiang Kwee; Ling, Xing Yi
errShare
errSave
Two-Photon-Assisted Polymerization and Reduction: Emerging Formulations and Applications
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2020-02-10
err57
errOAAI
errLay, Chee Leng; Koh, Charlynn Sher Lin; Lee, Yih Hong; Phan-Quang, Gia Chuong; Sim, Howard Yi Fan; Leong, Shi Xuan; Han, Xuemei; Phang, In Yee; Ling, Xing Yi
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errSave
Plasmonic-induced overgrowth of amorphous molybdenum sulfide on nanoporous gold: An ambient synthesis method of hybrid nanoparticles with enhanced electrocatalytic activity
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-12-27
err5
errOAAI
errPhan-Quang, Gia Chuong; Yang, Zhe; Koh, Charlynn Sher Lin; Sim, Howard Yi Fan; Leong, Shi Xuan; Ling, Xing Yi
errShare
errSave

Research Directions

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Co-authors
Cooperation Journals
M
Martin Pumera
H-index: 128 · Papers: 1.2K
刘
刘天西 (Tianxi Liu)
H-index: 116 · Papers: 882
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
Z
Zdeněk Sofer
H-index: 98 · Papers: 1.1K
S
Stephan C. Schuster
H-index: 92 · Papers: 380
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