Title: Thermodynamic Solubility in Pure Water
Authors: P. Llompart, G. Marcou
Description: Regression model predicting the logarithm of thermodynamic solubility (cLogSw) of a compound in pure water (pH 7.0 and 25 °C). Predicted solubility is accompanied by the Applicability Domain validity (Yes: WithinAD, No: OutOfAD). Models were trained on AqSolDBc, a curated version of AqSolDB (N = 8,047 compounds).

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