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Chemical Engineering and Industrial Chemistry

Working Paper

New modified Arrhenius equation to describe the temperature dependence of liquid phase reaction rates

Yunsie Chung, William H. Green

Version 2 posted 21 April 2025

230

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Theoretical and Computational Chemistry

Working Paper

Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy

Yunsie Chung, Florence H. Vermeire, Haoyang Wu, Pierre J. Walker, Michael H. Abraham, William H. Green

Version 2 posted 04 January 2022

1,066

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Biological and Medicinal Chemistry

Working Paper

Denoising Drug Discovery Data for Improved ADMET Property Prediction

Matthew Adrian, Yunsie Chung, Alan Cheng

Version 1 posted 22 April 2024

692

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Chemical Engineering and Industrial Chemistry

Working Paper

Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates

Yunsie Chung, William H. Green

Version 3 posted 10 January 2024

1,141

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Chemical Engineering and Industrial Chemistry

Working Paper

Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures

Florence Vermeire, Yunsie Chung, William Green

Version 2 posted 08 June 2022

1,058

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Physical Chemistry

Working Paper

The RMG Database for Chemical Property Prediction

Matthew S. Johnson, Xiaorui Dong, Alon Grinberg Dana, Yunsie Chung, David Farina, Ryan J. Gillis, Mengjie Liu, Nathan W. Yee, Katrin Blondal, Emily Mazeau, Colin Grambow, A. Mark Payne, Kevin Spiekermann, Hao-Wei Pang, C. Franklin Goldsmith, Richard H. West, William H. Green

Version 1 posted 22 July 2022

1,111

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Chemprop: A Machine Learning Package for Chemical Property Prediction

Esther Heid, Kevin P. Greenman, Yunsie Chung, Shih-Cheng Li, David E. Graff, Florence H. Vermeire, Haoyang Wu, William H. Green, Charles J. McGill

Version 3 posted 06 December 2023

6,027

Downloads

3

Citations

Biological and Medicinal Chemistry

Working Paper

Data Scaling and Generalization Insights for Medicinal Chemistry Deep Learning Models

Jacky Chen, Yunsie Chung, Jonathan Tynan, Chen Cheng, Song Yang, Alan Cheng

Version 2 posted 18 March 2025

497

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Refine Search

8 results in Yunsie Chung in Authors: Yunsie Chung

New modified Arrhenius equation to describe the temperature dependence of liquid phase reaction rates

Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy

Denoising Drug Discovery Data for Improved ADMET Property Prediction

Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates

Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures

The RMG Database for Chemical Property Prediction

Chemprop: A Machine Learning Package for Chemical Property Prediction

Data Scaling and Generalization Insights for Medicinal Chemistry Deep Learning Models

8 results in Authors: Yunsie Chung