Esther Heid - Dissemin

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All papers authored by Esther Heid

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2023 Esther Heid

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, Charles J. McGill

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, Florence H. Vermeire

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, William H. Green

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Characterizing Uncertainty in Machine Learning for Chemistry

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2021 Yanfei Guan

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, Connor W. Coley

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, Ranasinghe Duminda, Esther Heid

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, Thomas James Struble

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, Lagnajit Pattanaik

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, William H. Green

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, Klavs F. Jensen

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Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors

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1970 Esther Heid

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, Kevin P. Greenman

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, Shih-Cheng Li, David E. Graff

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, Florence H. Vermeire

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, William H. Green

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, Charles J. McGill

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Chemprop: A Machine Learning Package for Chemical Property Prediction

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