Charles J McGill (Charles McGill)

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 10

Top Topics

Body Composition

Density Functional Theory

Machine Learning

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. A

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

Publications

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, Charles J McGill, Florence H Vermeire, William H Green
Characterizing Uncertainty in Machine Learning for Chemistry. 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)
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)
Jennifer A Clark, Pranav J Thacker, Charles J McGill, Jason R Miles, Phillip R Westmoreland, Kirill Efimenko, Jan Genzer, Erik E Santiso
DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol. The journal of physical chemistry. A 125 (23) (2021)
Charles J McGill, Michael Forsuelo, Yanfei Guan, William H Green
Predicting Infrared Spectra with Message Passing Neural Networks. Journal of chemical information and modeling 61 (6) (2021)
Charles J McGill, Phillip R Westmoreland
Monosaccharide Isomer Interconversions Become Significant at High Temperatures. The journal of physical chemistry. A 123 (1) (2018)