Shih‐Cheng Li

Chemprop: A Machine Learning Package for Chemical Property Prediction

Esther Heid, Kevin P. Greenman, Yunsie Chung et al. · Journal of Chemical Information and Modeling · 2023 · 422 citations · Full text

Engineering, Machine Learning, Physic Aware Machine Learning +15

Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back

Brent A. Koscher, Richard B. Canty, Matthew A. McDonald et al. · Science · 2023 · 126 citations

Engineering, Molecular Biology, Computational Chemistry +18

When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?

Shih‐Cheng Li, Haoyang Wu, Angiras Menon et al. · Journal of the American Chemical Society · 2024 · 54 citations

Proton-Conductive Cerium-Based Metal–Organic Frameworks

Wei Huan Ho, Shih‐Cheng Li, Yi‐Ching Wang et al. · ACS Applied Materials & Interfaces · 2021 · 45 citations

Diels–Alder Conversion of Acrylic Acid and 2,5‐Dimethylfuran to <i>para</i>‐Xylene Over Heterogeneous Bi‐BTC Metal‐Organic Framework Catalysts Under Mild Conditions

Jyun‐Yi Yeh, Season S. Chen, Shih‐Cheng Li et al. · Angewandte Chemie International Edition · 2020 · 44 citations