AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
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August 2019 |
Synergistic Computational Modeling Approaches as Team Players in the Game of Solubility Predictions
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January 2021 |
N R T L: An empirical equation or an inspiring model for fluids mixtures properties?
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January 1985 |
Prediction of Solubility of Drugs and Other Compounds in Organic Solvents
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March 2010 |
Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like Molecules
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July 2013 |
Improved Prediction of Aqueous Solubility of Novel Compounds by Going Deeper With Deep Learning
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February 2020 |
Machine learning with physicochemical relationships: solubility prediction in organic solvents and water
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November 2020 |
SolTranNet–A Machine Learning Tool for Fast Aqueous Solubility Prediction
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May 2021 |
Machine learning for molecular and materials science
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July 2018 |
MLSolvA: solvation free energy prediction from pairwise atomistic interactions by machine learning
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July 2021 |
Solvent-Specific Featurization for Predicting Free Energies of Solvation through Machine Learning
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January 2019 |
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks
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February 2021 |
Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme
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January 2019 |
Thermodynamics of the solubility of 4-acetylbenzoic acid in different solvents from 303.15 to 473.15K
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April 2013 |
Solubility and Solubility Modeling of Polycyclic Aromatic Hydrocarbons in Subcritical Ethanol and Water Mixtures
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June 2014 |
Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics
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May 2021 |
Developing a Predictive Solubility Model for Monomeric and Oligomeric Cyclopropenium-Based Flow Battery Catholytes
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May 2019 |
A Universal Approach to Solvation Modeling
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June 2008 |
Refinement and Parametrization of COSMO-RS
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June 1998 |
Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed Solutes
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September 2017 |
Transfer learning for solvation free energies: From quantum chemistry to experiments
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August 2021 |
Virtual Computational Chemistry Laboratory – Design and Description
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June 2005 |
DrugBank 5.0: a major update to the DrugBank database for 2018
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November 2017 |
DLS-100 Solubility Dataset
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dataset
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January 2017 |
Free online access to experimental and predicted chemical properties through the EPA’s CompTox Chemistry Dashboard
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image
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January 2017 |
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
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June 2011 |
Non-linear van't Hoff solubility-temperature plots and their pharmaceutical interpretation
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January 1984 |
Estimation of heat capacities of gases, liquids and solids, and heat capacities of vaporization and of sublimation of organic chemicals at 298.15 K
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November 2020 |
Estimation of enthalpies of sublimation of organic, organometallic and inorganic compounds
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July 2020 |
Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy
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January 2022 |
Abraham model correlations for describing solute transfer processes into diethyl carbonate
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October 2019 |
Mathematical correlation of 1-chloroanthraquinone solubilities in organic solvents with the Abraham solvation parameter model
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August 2006 |
Mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents
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November 2010 |
Thermochemical behavior of dissolved carboxylic acid solutes: part 4 – mathematical correlation of 4-nitrobenzoic acid solubilities with the abraham solvation parameter model
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August 2004 |
Mathematical correlation of phenothiazine solubilities in organic solvents with the Abraham solvation parameter model
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August 2006 |
Abraham Model Correlations for Transfer of Neutral Molecules to Tetrahydrofuran and to 1,4-Dioxane, and for Transfer of Ions to Tetrahydrofuran
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November 2011 |
Determination of Abraham model solute descriptors for benzoin based on measured solubility ratios
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March 2012 |
Abraham model correlations for describing dissolution of organic solutes and inorganic gases in dimethyl carbonate
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December 2019 |
Solubility of Benzoin in Six Monosolvents and in Some Binary Solvent Mixtures at Various Temperatures
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August 2017 |
Solubility Modeling and Mixing Properties for Benzoin in Different Monosolvents and Solvent Mixtures at the Temperature Range from 273.15 to 313.15 K
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January 2018 |
Solubility of Terephthalic Acid in Aqueous N-Methyl Pyrrolidone and N,N-Dimethyl Acetamide Solvents at (303.2 to 363.2) K
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May 2008 |
Solubility Determination and Thermodynamic Modeling of N-Acetylglycine in Different Solvent Systems
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March 2021 |
Solid–Liquid Equilibrium of Chlorpropamide in 14 Pure Solvents at Temperature of 283.15 to 323.15 K
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April 2020 |
Solubility Determination and Thermodynamic Properties of Bezafibrate in Pure and Binary Mixed Solvents
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March 2020 |
Thermodynamic Models for Determination of the Solubility of N-Acetylglycine in (Methanol+Acetonitrile) Binary Solvent Mixtures
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January 2016 |
Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data
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April 2020 |
Solubilities of 1,3-Benzenedicarboxylic Acid in Water + Acetic Acid Solutions
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November 2004 |
Aqueous solubility of m-phthalic acid, o-phthalic acid and p-phthalic acid from 298 to 483 K
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July 1999 |
Solubilities of Isophthalic Acid in Acetic Acid + Water Solvent Mixtures
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July 2013 |
Determination and correlation of solubility and dissolution thermodynamics of m-toluic acid and isophthalic acid in binary (water plus ethanoic acid) solvent mixtures
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January 2018 |
Solid−Liquid Equilibria of Terephthalaldehydic Acid in Different Solvents
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July 2002 |
Solubilities of 4-Formylbenzoic Acid in Ethanoic Acid, Water, and Ethanoic Acid/Water Mixtures with Different Compositions from (303.2 to 473.2) K
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journal
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August 2010 |
Solubility of Phenothiazine in Water, Ethanol, and Propylene Glycol at (298.2 to 338.2) K and Their Binary and Ternary Mixtures at 298.2 K
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June 2011 |
Aqueous solubility data for pressurized hot water extraction for solid heterocyclic analogs of anthracene, phenanthrene and fluorene
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journal
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January 2007 |
Solubilities of Triptycene, 9-Phenylanthracene, 9,10-Dimethylanthracene, and 2-Methylanthracene in Pressurized Hot Water at Temperatures from 313 K to the Melting Point
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November 2007 |
Temperature dependence of aqueous solubility of anthracenes: accurate determination by a new generator column apparatus
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December 2003 |
Vapour pressures, molar enthalpies of sublimation and molar enthalpies of solution in water of five halogenated derivatives of uracil
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July 2002 |
The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography
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April 1987 |
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
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May 2021 |
Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp
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January 2014 |