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README.md
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Dataset Card for ESol (Estimated Solubility) Dataset
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Dataset Summary
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The ESOL dataset is designed for estimating the aqueous solubility
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of chemical compounds directly from their molecular structure.
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This dataset includes 2,874 experimentally measured solubility
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values. The most significant features for predicting solubility
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include calculated octanol-water partition coefficient (logP),
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molecular weight, the proportion of heavy atoms in aromatic systems,
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and the number of rotatable bonds.
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