Yunsie Chung

Merck & Co., Inc., Rahway, NJ, USA (United States) — United States

Computer Science · Physical Sciences

12h-index1.0kcitations46works4.02yr avg
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Research Topics

Computational Drug Discovery Methods(25), Machine Learning in Materials Science(25), Various Chemistry Research Topics(9), Analytical Chemistry and Chromatography(6), Chemical Thermodynamics and Molecular Structure(5)

Publications46 total

QComp: A QSAR-Based Imputation Framework for Drug Discovery
Journal of Chemical Information and Modeling·2025· 1 cited
Data Scaling and Generalization Insights for Medicinal Chemistry Deep Learning Models
Journal of Chemical Information and Modeling·2025· 1 cited
New modified Arrhenius equation to describe the temperature dependence of liquid phase reaction rates
Chemical Engineering Journal·2025· 18 cited
New modified Arrhenius equation to describe the temperature dependence of liquid phase reaction rates
2025Open Access
Data Scaling and Generalization Insights for Medicinal Chemistry Deep Learning Models
2025Open Access
Performance Insights for Small Molecule Drug Discovery Models: Data Scaling, Multitasking, and Generalization
2024· 1 citedOpen Access
Denoising Drug Discovery Data for Improved Absorption, Distribution, Metabolism, Excretion, and Toxicity Property Prediction
Journal of Chemical Information and Modeling·2024· 3 cited
QComp: A QSAR-Based Data Completion Framework for Drug Discovery
arXiv (Cornell University)·2024Open Access
Denoising Drug Discovery Data for Improved ADMET Property Prediction
2024· 1 citedOpen Access
New functional form to describe the temperature dependence of liquid phase reaction rates
2024Open Access
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates
2024· 1 citedOpen Access
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates
Chemical Science·2024· 22 citedOpen Access
Chemprop: A Machine Learning Package for Chemical Property Prediction
Journal of Chemical Information and Modeling·2023· 425 citedOpen Access
Author response for "Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates"
2023
Chemprop: A Machine Learning Package for Chemical Property Prediction
2023· 10 citedOpen Access
Benchmark Data for Chemprop
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Benchmark Data for Chemprop
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates
2023· 1 citedOpen Access
Chemprop: A Machine Learning Package for Chemical Property Prediction
2023· 18 citedOpen Access
Chemprop: Machine Learning Package for Chemical Property Prediction
2023· 27 citedOpen Access
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Frequent Co-authors

William H. Green(36), Haoyang Wu(16), Florence H. Vermeire(15), Esther Heid(7), Kevin P. Greenman(7), Shih‐Cheng Li(7), David Graff(7), Charles J. McGill(7), Pierre J. Walker(5), Michael H. Abraham(5), Alan C. Cheng(5), Alon Grinberg Dana(4), Sayandeep Biswas(4), Josephine Ramirez(4), Ryan J. Gillis(3), Richard H. West(3), Jacky Chen(3), Jonathan Tynan(3), Yang Song(3), Matthew S. Johnson(2)