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Michelle L. Coote

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Journal Articles

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2022
[j4]
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  - journals/jcisd/LowCI22
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Kaycee Low, Michelle L. Coote, Ekaterina I. Izgorodina:
Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition. J. Chem. Inf. Model. 62(22): 5457-5470 (2022)
2021
[j3]
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Adam C. Mater, Michelle L. Coote:
Explainable Molecular Sets: Using Information Theory to Generate Meaningful Descriptions of Groups of Molecules. J. Chem. Inf. Model. 61(10): 4877-4889 (2021)
2019
[j2]
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Adam C. Mater, Michelle L. Coote:
Deep Learning in Chemistry. J. Chem. Inf. Model. 59(6): 2545-2559 (2019)
2011
[j1]
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Hossein Farrokhpour, Zainab Mombeini, Mansoor Namazian, Michelle L. Coote:
Intermolecular potential energy surface for CS₂ dimer. J. Comput. Chem. 32(5): 797-809 (2011)

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