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Machine Learning in chemistry education: carbonyl multiclass classification

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SUPPLEMENTARY WOLFRAM MATERIALS for the ARTICLE:

Elizabeth Thrall, Seung Eun Lee, Joshua Schrier, Yijun Zhao (2021).

Machine Learning for Functional Group Identification in Vibrational Spectroscopy: A Pedagogical Lab for Undergraduate Chemistry Students.

J. Chem. Educ. 2021, 98, 10, 3269–3276.

https://doi.org/10.1021/acs.jchemed.1c00693