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Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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pH‐Solubility Relationship and Partition Coefficients for some Anti‐Inflammatory Arylaliphatic Acids
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Dissolution and Partition Thermodynamic Functions of Some Nonsteroidal Anti-Inflammatory Drugs
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Estimation of Aqueous Solubility By The General Solubility Equation (GSE) The Easy Way
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Severe renal toxicity due to intermediate-dose methotrexate
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Solubility and solubilization properties of non-steroidal anti-inflammatory drugs
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Impact of solid state properties on developability assessment of drug candidates
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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Influence of physicochemical properties on dissolution of drugs in the gastrointestinal tract1PII of original article: S0169-409X(96)00487-5. The article was originally published in Advanced Drug Delivery Reviews 25 (1997) 3–14.1
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Prediction of drug solubility from structure
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Chasing Equilibrium: Measuring the Intrinsic Solubility of Weak Acids and Bases
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Two New Parameters for Predicting the Entropy of Melting: Eccentricity (ε) and Spirality (μ)
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A Bioavailability Score
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Diclofenac Solubility: Independent Determination of the Intrinsic Solubility of Three Crystal Forms
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A Computational Model for the Prediction of Aqueous Solubility That Includes Crystal Packing, Intrinsic Solubility, and Ionization Effects
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Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle
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Structural and Thermodynamic Explanations of Ostwald's Rule
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pH-Metric Solubility. 2: Correlation Between the Acid-Base Titration and the Saturation Shake-Flask Solubility-pH Methods
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Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods
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Can we predict lattice energy from molecular structure?
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In silicoprediction of aqueous solubility

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Additional file 1 of Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based models
inferred← citeshttps://doi.org/10.6084/m9.figshare.26628292openalex-snapshot
Additional file 2 of Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based models
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