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Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy.

J Chem Inf Model · 2024 · PMC11005042 · PMID 37603608

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a statistical trendno p-value reported
While most prominent descriptors are not positively correlated with each other, there is a notable exception concerning electronic (MolMR) and structural features (1χ, MolWt, and HeavyAtomCounts). Although this correlation might be understandable by similarities in how these quantitative descriptors are generated, this behavior is not only a statistical trend.

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