"Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules" | |
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Journal of Chemical Information and Modeling | "Major Source of Error in QSPR Prediction of Intrinsic Thermodynamic Solubility of Drugs: Solid vs Nonsolid State Contributions? "Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like Molecules" |
"A Review of Methods for the Calculation of Solution Free Energies and the Modelling of Systems in Solution" PDF.
10Journal of Chemical Information and Modeling | "First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules" |
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