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Yunsie Chung
Yunsie Chung
Merck & Co, Massachusetts Institute of Technology
在 merck.com 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
Group contribution and machine learning approaches to predict Abraham solute parameters, solvation free energy, and solvation enthalpy
Y Chung, FH Vermeire, H Wu, PJ Walker, MH Abraham, WH Green
Journal of Chemical Information and Modeling 62 (3), 433-446, 2022
932022
Chemprop: a machine learning package for chemical property prediction
E Heid, KP Greenman, Y Chung, SC Li, DE Graff, FH Vermeire, H Wu, ...
Journal of Chemical Information and Modeling 64 (1), 9-17, 2023
802023
RMG database for chemical property prediction
MS Johnson, X Dong, A Grinberg Dana, Y Chung, D Farina Jr, RJ Gillis, ...
Journal of Chemical Information and Modeling 62 (20), 4906-4915, 2022
582022
Predicting solubility limits of organic solutes for a wide range of solvents and temperatures
FH Vermeire, Y Chung, WH Green
Journal of the American Chemical Society 144 (24), 10785-10797, 2022
522022
Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data
Y Chung, RJ Gillis, WH Green
AIChE Journal 66 (6), e16976, 2020
222020
Tuning micropillar tapering for optimal friction performance of thermoplastic gecko-inspired adhesive
Y Kim, Y Chung, A Tsao, R Maboudian
ACS Applied Materials & Interfaces 6 (9), 6936-6943, 2014
162014
Predicting critical properties and acentric factors of fluids using multitask machine learning
S Biswas, Y Chung, J Ramirez, H Wu, WH Green
Journal of Chemical Information and Modeling 63 (15), 4574-4588, 2023
132023
Two-fluid wetting behavior of a hydrophobic silicon nanowire array
Y Kim, Y Chung, Y Tian, C Carraro, R Maboudian
Langmuir 30 (44), 13330-13337, 2014
92014
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates
Y Chung, WH Green
Chemical Science 15 (7), 2410-2424, 2024
52024
Computing Kinetic Solvent Effects and Liquid Phase Rate Constants Using Quantum Chemistry and COSMO-RS Methods
Y Chung, WH Green
The Journal of Physical Chemistry A 127 (27), 5637-5651, 2023
52023
QComp: A QSAR-Based Data Completion Framework for Drug Discovery
B Yang, Y Chung, AY Yang, B Yuan, X Yu
arXiv preprint arXiv:2405.11703, 2024
2024
Chemprop: Property Prediction, Uncertainty Quantification, Software Development, and Benchmarking
E Heid, KP Greenman, Y Chung, SC Li, DE Graff, FH Vermeire, H Wu, ...
Optical Property Prediction and Molecular Discovery through Multi-Fidelity …, 2024
2024
Denoising Drug Discovery Data for Improved ADMET Property Prediction
M Adrian, Y Chung, A Cheng
2024
New functional form to describe the temperature dependence of liquid phase reaction rates
Y Chung, WH Green
2024
Recent Advances in Predictive Kinetics
W Green, X Dong, HW Pang, YT Wang, K Spiekermann, H Wu, Y Chung, ...
2023 AIChE Annual Meeting, 2023
2023
Dataset and Models for Predicting Critical Properties of Fluids
S Biswas, Y Chung, H Wu, W Green
2023 AIChE Annual Meeting, 2023
2023
SolProp: predicting solid solubility of organic solutes for a wide range of conditions using machine learning and thermodynamics
R Leenhouts, N Morgan, Y Chung, WH Green, F Vermeire
6th Machine Learning and AI in Bio (Chemical) Engineering Conference, Date …, 2023
2023
Denoising Drug Discovery ADMET Data for Improved Regression Task Performance
M Adrian, Y Chung, A Cheng
2023
Developing predictive tools for solvent effects on thermodynamics and kinetics
Y Chung
Massachusetts Institute of Technology, 2023
2023
Chemprop: Machine Learning for Molecular Property Prediction
C McGill, E Heid, Y Chung, K Greenman, D Graff, M Liu, C Bilodeau, ...
2022 AIChE Annual Meeting, 2022
2022
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