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Charles McGill

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2024
[j3]
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  - journals/jcisd/HeidGCLGVWGM24
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  - https://dblp.org/rec/journals/jcisd/HeidGCLGVWGM24
Esther Heid, Kevin P. Greenman, Yunsie Chung, Shih-Cheng Li, David E. Graff, Florence H. Vermeire, Haoyang Wu, William H. Green Jr., Charles McGill:
Chemprop: A Machine Learning Package for Chemical Property Prediction. J. Chem. Inf. Model. 64(1): 9-17 (2024)
2023
[j2]
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  - journals/jcisd/HeidMVG23
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Esther Heid, Charles McGill, Florence H. Vermeire, William H. Green Jr.:
Characterizing Uncertainty in Machine Learning for Chemistry. J. Chem. Inf. Model. 63(13): 4012-4029 (2023)
2021
[j1]
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  - journals/jcisd/McGillFGG21
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Charles McGill, Michael Forsuelo, Yanfei Guan, William H. Green Jr.:
Predicting Infrared Spectra with Message Passing Neural Networks. J. Chem. Inf. Model. 61(6): 2594-2609 (2021)

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