Charles McGill
Affiliations: | 2014-2019 | Chemical and Biomolecular Engineering | North Carolina State University, Raleigh, NC |
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"Charles McGill"Parents
Sign in to add mentor| 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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Publications
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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 |