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The Delaney dataset is a collection of 2874 solubility | ||
The Delaney dataset is a collection of 2874 aqueous solubility measurements from this paper: | ||
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Delaney, John S. "ESOL: estimating aqueous solubility directly from molecular structure." Journal of chemical information and computer sciences 44.3 (2004): 1000-1005. | ||
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In this example, we train a series of different DeepChem models against this task. |