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The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Estimating the solubility of organic compounds in water using electrokinetic chromatography
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2014.02.023openalex-snapshot
Preparation of cyclohexanone/water Pickering emulsion together with modification of silica particles in the presence of PMHS by one pot method
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2025.108784openalex-snapshot
Deep learning and molecular dynamics reveal promising EZH2 inhibitors for epigenetic cancer targeting
inferred← citeshttps://doi.org/10.1016/j.ddtec.2018.06.001openalex-snapshot
Brief overview of solubility methods: Recent trends in equilibrium solubility measurement and predictive models
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.103344openalex-snapshot
Trends in oral small-molecule drug discovery and product development based on product launches before and after the Rule of Five
inferred← citeshttps://doi.org/10.1016/j.ejmech.2007.04.009openalex-snapshot
Computational aqueous solubility prediction for drug-like compounds in congeneric series
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.05.059openalex-snapshot
Prediction of intrinsic solubility of generic drugs using MLR, ANN and SVM analyses
inferred← citeshttps://doi.org/10.1016/j.ejps.2004.04.006openalex-snapshot
Accuracy of calculated pH-dependent aqueous drug solubility
inferred← citeshttps://doi.org/10.1016/j.ejps.2006.05.013openalex-snapshot
Contribution of solid-state properties to the aqueous solubility of drugs
inferred← citeshttps://doi.org/10.1016/j.ejps.2010.04.016openalex-snapshot
Estimation of drug solubility in water, PEG 400 and their binary mixtures using the molecular structures of solutes
inferred← citeshttps://doi.org/10.1016/j.ejps.2015.06.025openalex-snapshot
Solubility and modeling acid–base properties of adrenaline in NaCl aqueous solutions at different ionic strengths and temperatures
inferred← citeshttps://doi.org/10.1016/j.elecom.2013.05.036openalex-snapshot
Highly selective electrochemical hydrogenation of acetylene to ethylene at Ag and Cu cathodes
inferred← citeshttps://doi.org/10.1016/j.electacta.2026.150205openalex-snapshot
Metal-catalyzed Electrocatalytic Acetylene Semi-hydrogenation: from Mechanistic Insights to Performance Opportunities
inferred← citeshttps://doi.org/10.1016/j.fluid.2005.02.016openalex-snapshot
Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents
inferred← citeshttps://doi.org/10.1016/j.fluid.2011.01.002openalex-snapshot
Diffusion coefficients in ethanol and in water at 298K: Linear free energy relationships
inferred← citeshttps://doi.org/10.1016/j.fluid.2015.02.021openalex-snapshot
Estimation of ginger bioactive compound solubilities in hot compressed water and enhancement with entrainer
inferred← citeshttps://doi.org/10.1016/j.fluid.2017.06.017openalex-snapshot
The correlation and prediction of infinite dilution activity coefficients of compounds in water at 298.15 K
inferred← citeshttps://doi.org/10.1016/j.fluid.2020.112575openalex-snapshot
Estimation of enthalpies of sublimation of organic, organometallic and inorganic compounds
inferred← citeshttps://doi.org/10.1016/j.fluid.2025.114480openalex-snapshot
Solubility of nifedipine in twenty-one mono-solvents at various temperatures
inferred← citeshttps://doi.org/10.1016/j.fluid.2026.114752openalex-snapshot
Deferiprone solubility: From thermodynamic frameworks to machine learning approaches
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2005.02.013openalex-snapshot
A rapid screening tool for estimating the potential of 2-hydroxypropyl-β-cyclodextrin complexation for solubilization purposes
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2007.01.022openalex-snapshot
Solubility analysis of buspirone hydrochloride polymorphs: Measurements and prediction
inferred← citeshttps://doi.org/10.1016/j.jchromb.2003.08.032openalex-snapshot
Separation methods for estimating octanol–water partition coefficients
inferred← citeshttps://doi.org/10.1016/j.jchromb.2024.124158openalex-snapshot
Estimation of passive gastrointestinal absorption of new dual DNA gyrase and topoisomerase IV inhibitors using PAMPA and biopartitioning micellar chromatography and quantitative structure-retention relationship analysis
inferred← citeshttps://doi.org/10.1016/j.jcis.2011.12.062openalex-snapshot
Surface tension and adsorption kinetics of amphiphiles in aqueous solutions: The role of carbon chain length and temperature
inferred← citeshttps://doi.org/10.1016/j.jct.2013.02.007openalex-snapshot
Prediction of the solubility of selected pharmaceuticals in water and alcohols with a group contribution method
inferred← citeshttps://doi.org/10.1016/j.jct.2018.11.029openalex-snapshot
Solubilities of pyrene in organic solvents: Comparison between chemical potential calculations using a cavity-based method and direct coexistence simulations
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2005.11.049openalex-snapshot
RhCl3-catalyzed disulfide exchange reaction using water solvent in homogeneous and heterogeneous systems
inferred← citeshttps://doi.org/10.1016/j.jpba.2007.01.035openalex-snapshot
Physicochemical profile of nimesulide
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2016.12.013openalex-snapshot
Differential azobenzene solubility increases equilibrium cis/trans ratio in water
inferred← citeshttps://doi.org/10.1016/j.microc.2026.119486openalex-snapshot
Prediction of aqueous solubility for neutral organic compounds using micellar electrokinetic chromatography retention and Abraham solvation model descriptors
inferred← citeshttps://doi.org/10.1016/j.molcata.2010.11.029openalex-snapshot
Deactivation of Au/TiO2 catalyst in the hydrogenation of o-chloronitrobenzene in the presence of CO2
inferred← citeshttps://doi.org/10.1016/j.molliq.2004.06.001openalex-snapshot
Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-nitrobenzoic acid solubilities with the Abraham general solvation model
inferred← citeshttps://doi.org/10.1016/j.molliq.2009.02.003openalex-snapshot
Prediction of drug solubility in mixed solvents using computed Abraham parameters
inferred← citeshttps://doi.org/10.1016/j.molliq.2015.08.042openalex-snapshot
Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.10.031openalex-snapshot
Prediction of paracetamol solubility in cosolvency systems at different temperatures
inferred← citeshttps://doi.org/10.1016/j.molliq.2019.03.028openalex-snapshot
Theoretical investigation of the solubility of some antiemetic drugs
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.113969openalex-snapshot
Estimation of heat capacities of gases, liquids and solids, and heat capacities of vaporization and of sublimation of organic chemicals at 298.15 K
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117587openalex-snapshot
A new correlative model to simulate the solubility of drugs in mono-solvent systems at various temperatures
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.123929openalex-snapshot
Reduction potentials of perfluorinated organic acids in alkaline polar solvents. Computational thermodynamic insight into the electron-attachment induced defluorination
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124531openalex-snapshot
Solubility evaluation of palm-based Mono-diacylglycerols (MDAGs) in food grade solvent (hexane, ethanol, acetone, water) using QSPR model approach
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126551openalex-snapshot
Toward nanosuspension preparation by modeling the solubility of levofloxacin and ofloxacin in ethanol + water solvent mixtures at different temperatures
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2018.12.282openalex-snapshot
Predicting dissolved organic carbon partition and distribution coefficients of neutral and ionizable organic chemicals
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2019.02.340openalex-snapshot
A review of the predictive models estimating association of neutral and ionizable organic chemicals with dissolved organic carbon
inferred← citeshttps://doi.org/10.1016/j.tca.2007.04.005openalex-snapshot
Enthalpy of solvation correlations for gaseous solutes dissolved in dimethyl sulfoxide and propylene carbonate based on the Abraham model
inferred← citeshttps://doi.org/10.1016/j.tca.2019.178372openalex-snapshot
Development of Abraham model expressions for predicting the standard molar enthalpies of vaporization of organic compounds at 298.15 K
inferred← citeshttps://doi.org/10.1016/j.xphs.2016.03.040openalex-snapshot
Estimating the Aqueous Solubility of Pharmaceutical Hydrates
inferred← citeshttps://doi.org/10.1016/j.xphs.2016.10.022openalex-snapshot
Isolation, Solubility, and Characterization of D-Mannitol Esters of 4-Methoxybenzeneboronic Acid
inferred← citeshttps://doi.org/10.1016/j.xphs.2017.08.017openalex-snapshot
Biorelevant Drug Solubility Enhancement Modeled by a Linear Solvation Energy Relationship
inferred← citeshttps://doi.org/10.1016/s0021-9673(00)00224-7openalex-snapshot
Contributions of theory to method development in solid-phase extraction
inferred← citeshttps://doi.org/10.1016/s0045-6535(02)00118-2openalex-snapshot
Estimation of aqueous solubility of organic compounds by using the general solubility equation
inferred← citeshttps://doi.org/10.1016/s0065-7743(00)35028-xopenalex-snapshot
Chapter 27. Ex vivo approaches to predicting oral pharmacokinetics in humans
inferred← citeshttps://doi.org/10.1016/s0079-6468(02)41001-6openalex-snapshot
Predicting Oral Absorption and Bioavailability
inferred← citeshttps://doi.org/10.1016/s0168-3659(02)00007-xopenalex-snapshot
Quantitative evaluation of adhesive properties and drug-adhesive interactions for transdermal drug delivery formulations using linear solvation energy relationships
inferred← citeshttps://doi.org/10.1016/s0168-3659(02)00204-3openalex-snapshot
Prediction of drug solubility in an acrylate adhesive based on the drug–polymer interaction parameter and drug solubility in acetonitrile
inferred← citeshttps://doi.org/10.1016/s0169-409x(02)00008-xopenalex-snapshot
Prediction of drug solubility from structure
inferred← citeshttps://doi.org/10.1016/s0958-1669(99)00062-2openalex-snapshot
Chemoinformatics – predicting the physicochemical properties of 'drug-like' molecules
inferred← citeshttps://doi.org/10.1016/s0960-894x(00)00172-4openalex-snapshot
Prediction of drug solubility from Monte Carlo simulations
inferred← citeshttps://doi.org/10.1016/s1359-6446(02)02478-9openalex-snapshot
Application of hydrogen bonding calculations in property based drug design
inferred← citeshttps://doi.org/10.1016/s1359-6446(04)03365-3openalex-snapshot
Predicting aqueous solubility from structure
inferred← citeshttps://doi.org/10.1016/s1567-7192(00)80015-7openalex-snapshot
Chapter 12 Measurements of physical properties for drug design in industry
inferred← citeshttps://doi.org/10.1016/s1773-2247(10)50080-7openalex-snapshot
A simple QSPR model to predict aqueous solubility of drugs
inferred← citeshttps://doi.org/10.1021/acs.jafc.3c05287openalex-snapshot
Discovery of Rhodanine Inhibitors Targeting Of ChtI Based on the π-Stacking Effect and Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/acs.jced.9b00131openalex-snapshot
Determination of Some Physicochemical Properties of Mebendazole with RPLC Method
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00701openalex-snapshot
Findings of the Second Challenge to Predict Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.0c00689openalex-snapshot
“Flexible-Acceptor” General Solubility Equation for beyond Rule of 5 Drugs
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.4c00080openalex-snapshot
Comparative Analysis of Chemical Descriptors by Machine Learning Reveals Atomistic Insights into Solute–Lipid Interactions
inferred← citeshttps://doi.org/10.1021/acscatal.5c00393openalex-snapshot
Electrocatalytic Transformations of C 2 and C 3 Hydrocarbons: Bridging from the Past to the Future
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.6c00093openalex-snapshot
N- and O-Prenylated Quinolones: Syntheses and In Vitro and In Vivo Antischistosomal Evaluation
inferred← citeshttps://doi.org/10.1021/acsnano.3c11621openalex-snapshot
Multi-Stimuli-Responsive, Topology-Regulated, and Lignin-Based Nano/Microcapsules from Pickering Emulsion Templates for Bidirectional Delivery of Pesticides
inferred← citeshttps://doi.org/10.1021/acsomega.2c00697openalex-snapshot
Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks
inferred← citeshttps://doi.org/10.1021/am301304hopenalex-snapshot
Superparamagnetic Microspheres with Controlled Macroporosity Generated in Microfluidic Devices
inferred← citeshttps://doi.org/10.1021/cg1001946openalex-snapshot
Sublimation of Molecular Crystals: Prediction of Sublimation Functions on the Basis of HYBOT Physicochemical Descriptors and Structural Clusterization
inferred← citeshttps://doi.org/10.1021/ci010363yopenalex-snapshot
Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets
inferred← citeshttps://doi.org/10.1021/ci034243xopenalex-snapshot
ESOL: Estimating Aqueous Solubility Directly from Molecular Structure
inferred← citeshttps://doi.org/10.1021/ci060164kopenalex-snapshot
Random Forest Models To Predict Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/ci800323qopenalex-snapshot
New Developments in Hydrogen Bonding Acidity and Basicity of Small Organic Molecules for the Prediction of Physical and ADMET Properties. Part 2. The Universal Solvation Equation
inferred← citeshttps://doi.org/10.1021/ci9004354openalex-snapshot
Predicting Oral Druglikeness by Iterative Stochastic Elimination
inferred← citeshttps://doi.org/10.1021/ci990427topenalex-snapshot
Estimation of Molecular Linear Free Energy Relationship Descriptors by a Group Contribution Approach. 2. Prediction of Partition Coefficients
inferred← citeshttps://doi.org/10.1021/cr990052aopenalex-snapshot
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
inferred← citeshttps://doi.org/10.1021/ct300035uopenalex-snapshot
The Structure, Thermodynamics, and Solubility of Organic Crystals from Simulation with a Polarizable Force Field
inferred← citeshttps://doi.org/10.1021/es051512mopenalex-snapshot
Gaseous Hexane Biodegradation by Fusarium solani in Two Liquid Phase Packed-Bed and Stirred-Tank Bioreactors
inferred← citeshttps://doi.org/10.1021/es503369topenalex-snapshot
Applications of Polyparameter Linear Free Energy Relationships in Environmental Chemistry
inferred← citeshttps://doi.org/10.1021/ie061386aopenalex-snapshot
Self-Neutralizing in Situ Acid Catalysis for Single-Pot Synthesis of Iodobenzene and Methyl Yellow in CO2-Expanded Methanol
inferred← citeshttps://doi.org/10.1021/ie070572topenalex-snapshot
Simple First-Order Group Contribution Scheme for Solubilities of Solid Polycyclic Aromatic Hydrocarbons and Solid Polycyclic Aromatic Heterocycles in Pressurized Hot Water
inferred← citeshttps://doi.org/10.1021/ie402588topenalex-snapshot
Solubility of Nifedipine in Ethanol + Water and Propylene Glycol + Water Mixtures at 293.2 to 313.2 K
inferred← citeshttps://doi.org/10.1021/ja103391kopenalex-snapshot
Rapid Release of Entrapped Contents from Multi-Functionalizable, Surface Cross-Linked Micelles upon Different Stimulation
inferred← citeshttps://doi.org/10.1021/ja402084xopenalex-snapshot
Quantitative Understanding of Guest Binding Enables the Design of Complex Host–Guest Behavior
inferred← citeshttps://doi.org/10.1021/je101061topenalex-snapshot
Representation/Prediction of Solubilities of Pure Compounds in Water Using Artificial Neural Network−Group Contribution Method
inferred← citeshttps://doi.org/10.1021/jm701122qopenalex-snapshot
Generation of a Set of Simple, Interpretable ADMET Rules of Thumb
inferred← citeshttps://doi.org/10.1021/jo062606xopenalex-snapshot
Perfluoroalkylated 4,13-Diaza-18-Crown-6 Ethers: Synthesis, Phase-Transfer Catalysis, and Recycling Studies
inferred← citeshttps://doi.org/10.1021/jp073539topenalex-snapshot
Ab Initio Aqueous Thermochemistry: Application to the Oxidation of Hydroxylamine in Nitric Acid Solution
inferred← citeshttps://doi.org/10.1021/jp5024197openalex-snapshot
Solubility of Nonelectrolytes: A First-Principles Computational Approach
inferred← citeshttps://doi.org/10.1021/la000289yopenalex-snapshot
A Linear Free Energy Analysis of the Surface Tension of Organic Liquids
inferred← citeshttps://doi.org/10.1021/la0622931openalex-snapshot
On the Dissolution of Vapors and Gases
inferred← citeshttps://doi.org/10.1021/mp300146mopenalex-snapshot
Estimation of Maximum Transdermal Flux of Nonionized Xenobiotics from Basic Physicochemical Determinants
inferred← citeshttps://doi.org/10.1021/mp300476zopenalex-snapshot
Application of In Silico, In Vitro and Preclinical Pharmacokinetic Data for the Effective and Efficient Prediction of Human Pharmacokinetics
inferred← citeshttps://doi.org/10.1021/mp300537kopenalex-snapshot
In SilicoPhysicochemical Parameter Predictions
inferred← citeshttps://doi.org/10.1021/mp5003366openalex-snapshot
Structure-Based Prediction of Drug Distribution Across the Headgroup and Core Strata of a Phospholipid Bilayer Using Surrogate Phases
inferred← citeshttps://doi.org/10.1021/mp7000878openalex-snapshot
Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle
inferred← citeshttps://doi.org/10.1023/a:1014224900524openalex-snapshot
Experimental and Computational Screening Models for Prediction of Aqueous Drug Solubility
inferred← citeshttps://doi.org/10.1023/a:1015853220711openalex-snapshot
Solubility of Crystalline Nonelectrolyte Solutes in Organic Solvents: Mathematical Correlation of Benzil Solubilities with the Abraham General Solvation Model
inferred← citeshttps://doi.org/10.1023/a:1021825509697openalex-snapshot
Thermodynamic Study of the Solubility of Benzocaine in some Organic and Aqueous Solvents
inferred← citeshttps://doi.org/10.1023/b:bile.0000012892.07586.68openalex-snapshot
Simple calculation for compounds lost by gas stripping in a two-phase liquid system involving dilute substances
inferred← citeshttps://doi.org/10.1023/b:josl.0000023923.12017.a8openalex-snapshot
Solubility of Crystalline Nonelectrolyte Solutes in Organic Solvents: Mathematical Correlation of Acetylsalicylic Acid Solubilities with the Abraham General Solvation Model
inferred← citeshttps://doi.org/10.1023/b:pham.0000029281.12753.25openalex-snapshot
Topical Delivery of a Model Phenolic Drug: Alkyloxycarbonyl Prodrugs of Acetaminophen
inferred← citeshttps://doi.org/10.1038/s41557-023-01291-1openalex-snapshot
C–H···π interactions disrupt electrostatic interactions between non-aqueous electrolytes to increase solubility
inferred← citeshttps://doi.org/10.1038/s41597-019-0151-1openalex-snapshot
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
inferred← citeshttps://doi.org/10.1038/s41598-025-28272-3openalex-snapshot
Predicting drug solubility in binary solvent mixtures using graph convolutional networks: a comprehensive deep learning approach
inferred← citeshttps://doi.org/10.1038/s42004-024-01217-zopenalex-snapshot
Unsupervised manifold embedding to encode molecular quantum information for supervised learning of chemical data
inferred← citeshttps://doi.org/10.1038/srep03888openalex-snapshot
Concentration-dependent polyparameter linear free energy relationships to predict organic compound sorption on carbon nanotubes
inferred← citeshttps://doi.org/10.1039/9781849735377-00104openalex-snapshot
Bioavailability Prediction at Early Drug Discovery Stages: In Vitro Assays and Simple Physico-Chemical Rules
inferred← citeshttps://doi.org/10.1039/a907235gopenalex-snapshot
Models for estimating the non-specific toxicity of organic compounds in short-term bioassays
inferred← citeshttps://doi.org/10.1039/a907461iopenalex-snapshot
Correlation and prediction of the solubility of Buckminsterfullerene in organic solvents; estimation of some physicochemical properties
inferred← citeshttps://doi.org/10.1039/b006380kopenalex-snapshot
Chromatographic methods for the determination of the logL16 solute descriptor
inferred← citeshttps://doi.org/10.1039/b103318mopenalex-snapshot
Solvation descriptors for the polychloronaphthalenes: estimation of some physicochemical properties
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