Publications by authors named "Shih-Cheng Li"

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Application of the digital annealer unit in optimizing chemical reaction conditions for enhanced production yields.
Shih-Cheng Li, Pei-Hua Wang, Jheng-Wei Su, Wei-Yin Chiang, Tzu-Lan Yeh, Yen-Chu Lin

J Cheminform· July 2025

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ASKCOS: Open-Source, Data-Driven Synthesis Planning.
Zhengkai Tu, Sourabh J Choure, Mun Hong Fong, Jihye Roh, Itai Levin, Shih-Cheng Li, Huiqian Lin, Jordan P Liles, Mengjie Liu, William H Green

Acc Chem Res· June 2025

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Integrating Machine Learning and Large Language Models to Advance Exploration of Electrochemical Reactions.
Zhiling Zheng, Federico Florit, Brooke Jin, Haoyang Wu, Shih-Cheng Li, William H Green

Angew Chem Int Ed Engl· February 2025

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When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?
Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin A Spiekermann, Yi-Pei Li, William H Green

J Am Chem Soc· August 2024

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Tailoring parameters for QM/MM simulations: accurate modeling of adsorption and catalysis in zirconium-based metal-organic frameworks.
Yu-Chi Kao, Yi-Ming Wang, Jyun-Yi Yeh, Shih-Cheng Li, Kevin C-W Wu, Li-Chiang Lin, Yi-Pei Li

Phys Chem Chem Phys· July 2024

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Chemprop: A Machine Learning Package for Chemical Property Prediction.
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, William H Green

J Chem Inf Model· January 2024

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Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back.
Brent A Koscher, Richard B Canty, Matthew A McDonald, Kevin P Greenman, Charles J McGill, Shih-Cheng Li, Rafael Gómez-Bombarelli, William H Green

Science· December 2023

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Effect of mask coverage on face identification in Taiwanese men and women.
Yi-Lang Chen, Cheng-Yu Wu, Shih-Cheng Li, Tai-Min Yu, Shu-Ping Yu

Front Psychol· January 2023

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Comparative Analysis of Uncoupled Mode Approximations for Molecular Thermochemistry and Kinetics.
Shih-Cheng Li, Yen-Chun Lin, Yi-Pei Li

J Chem Theory Comput· November 2022

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Proton-Conductive Cerium-Based Metal-Organic Frameworks.
Wei Huan Ho, Shih-Cheng Li, Yi-Ching Wang, Tzu-En Chang, Yi-Ting Chiang, Yi-Pei Li

ACS Appl Mater Interfaces· November 2021

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Quantum Mechanical Calculations for Biomass Valorization over Metal-Organic Frameworks (MOFs).
Jyun-Yi Yeh, Shih-Cheng Li, Celine H Chen, Kevin C-W Wu, Yi-Pei Li

Chem Asian J· May 2021

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Diels-Alder Conversion of Acrylic Acid and 2,5-Dimethylfuran to para-Xylene Over Heterogeneous Bi-BTC Metal-Organic Framework Catalysts Under Mild Conditions.
Jyun-Yi Yeh, Season S Chen, Shih-Cheng Li, Celine H Chen, Tetsuya Shishido, Yi-Pei Li

Angew Chem Int Ed Engl· January 2021

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