Shi Xuan Leong - School of Physical and Mathematical Sciences, Nanyang Technological University

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论文共 29 篇作者统计合作学者相似作者

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Spiers Memorial Lecture: How to Do Impactful Research in Artificial Intelligence for Chemistry and Materials Science

Austin H. Cheng,Cher Tian Ser,Marta Skreta, Andres Guzman-Cordero,Luca Thiede, Andreas Burger,Abdulrahman Aldossary,Shi Xuan Leong,Sergio Pablo-Garcia,Felix Strieth-Kalthoff,Alan Aspuru-Guzik

Faraday discussionsno. 0 (2025): 10-60

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Machine Learning-Based SERS Chemical Space for Two-Way Prediction of Structures and Spectra of Untrained Molecules

Jaslyn Ru Ting Chen,Emily Xi Tan, Jingxiang Tang,Shi Xuan Leong, Sean Kai Xun Hue,Chi Seng Pun,In Yee Phang,Xing Yi Ling

pubmed（2025）

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One Set to Rule Them All: How to Obtain General Chemical Conditions Via Bayesian Optimization over Curried Functions

Stefan P. Schmid, Ella Miray Rajaonson,Cher Tian Ser, Mohammad Haddadnia,Shi Xuan Leong,Alán Aspuru-Guzik,Agustinus Kristiadi,Kjell Jorner,Felix Strieth-Kalthoff

CoRR (2025)

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Forward-predictive SERS-based Chemical Taxonomy for Untargeted Structural Elucidation of Epimeric Cerebrosides

Emily Xi Tan,Shi Xuan Leong, Wei An Liew,In Yee Phang, Jie Ying Ng,Nguan Soon Tan,Yie Hou Lee,Xing Yi Ling

Nature Communicationsno. 1 (2024)

引用4浏览0WOSNATURE引用

Automated Electrosynthesis Reaction Mining with Multimodal Large Language Models (Mllms)

Shi Xuan Leong,Sergio Pablo-Garcia,Zijian Zhang,Alan Aspuru-Guzik

CHEMICAL SCIENCE（2024）

引用3浏览0WOS引用

Steering Towards Safe Self-Driving Laboratories

Shi Xuan Leong, Caleb E. Griesbach, Rui Zhang,Kourosh Darvish,Yuchi Zhao, Abhijoy Mandal, Yunheng Zou,Han Hao, Varinia Bernales,Alán Aspuru-Guzik

crossref（2024）

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Author Response for "automated Electrosynthesis Reaction Mining with Multimodal Large Language Models (Mllms)"

Shi Xuan Leong,Sergio Pablo-García,Zijian Zhang,Alán Aspuru-Guzik

crossref（2024）

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Harnessing Cooperative Multivalency in Thioguanine for SERS Differentiation of Polyfunctional Analytes Differing by Single Functional Group

Lam Bang Thanh Nguyen,Emily Xi Tan,Shi Xuan Leong,Charlynn Sher Lin Koh, Murugan Madhumita,In Yee Phang,Xing Yi Ling

ANGEWANDTE CHEMIE-INTERNATIONAL EDITIONno. 40 (2024)

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Advancing Energy Systems with In-Situ and Operando Surface-Enhanced Raman Scattering Spectroscopy

Haoming Bao,Shi Xuan Leong,Jaslyn Ru Ting Chen,Zhenhai Shi,Suli Chen,Yan Lv,Tianxi Liu,In Yee Phang,Xing Yi Ling

CCS Chemistrypp.1-52, (2024)

引用3浏览0引用

In Silico Chemical Experiments in the Age of AI: from Quantum Chemistry to Machine Learning and Back

Abdulrahman Aldossary, Jorge Arturo Campos-Gonzalez-Angulo,Sergio Pablo-Garcia,Shi Xuan Leong, Ella Miray Rajaonson,Luca Thiede,Gary Tom,Andrew Wang,Davide Avagliano,Alan Aspuru-Guzik

openalex（2024）

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