Haoyang Wu

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 13

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Journal of the American Chemical Society

The journal of physical chemistry. A

Science (New York, N.Y.)

This page only lists publications with an associated author ORCID identifier.

Publications

Haoyang Wu, A Mark Payne, Hao-Wei Pang, Angiras Menon, Colin A Grambow, Duminda S Ranasinghe, Xiaorui Dong, Alon Grinberg Dana, William H Green
Toward Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions. The journal of physical chemistry. A 128 (21) (2024)
Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin A Spiekermann, Yi-Pei Li, William H Green
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties? Journal of the American Chemical Society (2024)
Haoyang Wu, A Mark Payne, Hao-Wei Pang, Angiras Menon, Colin A Grambow, Duminda S Ranasinghe, Xiaorui Dong, Alon Grinberg Dana, William H Green
Toward Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions. The journal of physical chemistry. A (2024)
Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin A Spiekermann, Yi-Pei Li, William H Green
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties? Journal of the American Chemical Society 146 (33) (2024)
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, Florence H Vermeire, Haoyang Wu, William H Green, Charles J McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of chemical information and modeling (2023)
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, Florence H Vermeire, Haoyang Wu, William H Green, Charles J McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of chemical information and modeling 64 (1) (2023)
Sayandeep Biswas, Yunsie Chung, Josephine Ramirez, Haoyang Wu, William H Green
Predicting Critical Properties and Acentric Factors of Fluids Using Multitask Machine Learning. Journal of chemical information and modeling (2023)
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, Florence H Vermeire, Haoyang Wu, William H Green, Charles J McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of chemical information and modeling 64 (1) (2023)
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, Florence H Vermeire, Haoyang Wu, William H Green, Charles J McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of chemical information and modeling 64 (1) (2023)
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, Florence H Vermeire, Haoyang Wu, William H Green, Charles J McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of chemical information and modeling 64 (1) (2023)
Brent A Koscher, Richard B Canty, Matthew A McDonald, Kevin P Greenman, Charles J McGill, Camille L Bilodeau, Wengong Jin, Haoyang Wu, Florence H Vermeire, Brooke Jin, Travis Hart, Timothy Kulesza, Shih-Cheng Li, Tommi S Jaakkola, Regina Barzilay, Rafael Gomez-Bombarelli, William H Green, Klavs F Jensen
Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back. Science (New York, N.Y.) 382 (6677) (2023)
Esther Heid, Kevin P Greenman, Yunsie Chung, Shih-Cheng Li, David E Graff, Florence H Vermeire, Haoyang Wu, William H Green, Charles J McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of chemical information and modeling 64 (1) (2023)
Haoyang Wu, Alon Grinberg Dana, Duminda S Ranasinghe, Frank C Pickard, Geoffrey P F Wood, Todd Zelesky, Gregory W Sluggett, Jason Mustakis, William H Green
Kinetic Modeling of API Oxidation: (2) Imipramine Stress Testing. Molecular pharmaceutics 19 (5) (2022)