Supporting Information for "Limitations of theory-informed machine learning algorithms for the prediction and exploration of molecular properties: solvation free energy as a case study"

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posted on 2025-07-29, 12:06 authored by Jeffrey Ethier, Andrew Paluch, Vikas Varshney

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DOI - Is supplement to Limitations of theory-informed machine learning algorithms for the prediction and exploration of molecular properties: solvation free energy as a case study

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theory-informed machine learning solvation free energy active learning

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