Charles McGill

2014-2019 Chemical and Biomolecular Engineering North Carolina State University, Raleigh, NC 
"Charles McGill"


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Phillip R. Westmoreland grad student 2014-2019 NCSU
 (Post-doc 2020-22 with William Green, MIT Chemical Engineering)
William H. Green post-doc MIT (Chemistry Tree)
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Heid E, Greenman KP, Chung Y, et al. (2023) Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of Chemical Information and Modeling. 64: 9-17
Koscher BA, Canty RB, McDonald MA, et al. (2023) Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back. Science (New York, N.Y.). 382: eadi1407
Heid E, McGill CJ, Vermeire FH, et al. (2023) Characterizing Uncertainty in Machine Learning for Chemistry. Journal of Chemical Information and Modeling
Clark JA, Thacker PJ, McGill CJ, et al. (2021) 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
McGill C, Forsuelo M, Guan Y, et al. (2021) Predicting Infrared Spectra with Message Passing Neural Networks. Journal of Chemical Information and Modeling
McGill CJ, Westmoreland PR. (2018) Monosaccharide Isomer Interconversions Become Significant at High Temperatures. The Journal of Physical Chemistry. A
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