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 | 93 | 2022 |
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 | 80 | 2023 |
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 | 58 | 2022 |
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 | 52 | 2022 |
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 | 22 | 2020 |
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 | 16 | 2014 |
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 | 13 | 2023 |
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 | 9 | 2014 |
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates Y Chung, WH Green Chemical Science 15 (7), 2410-2424, 2024 | 5 | 2024 |
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 | 5 | 2023 |
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 |