On the public citation graph

QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water−Air Partition Coefficients

0 signed · 184 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/etc.5620101007openalex-snapshot
BOND CONTRIBUTION METHOD FOR ESTIMATING HENRY'S LAW CONSTANTS
inferredcites →https://doi.org/10.1002/jps.2600720132openalex-snapshot
Handbook of Chemical Property Estimation Methods
inferredcites →https://doi.org/10.1002/jps.2600810924openalex-snapshot
A new method for the estimation of the aqueous solubility of organic compounds
inferredcites →https://doi.org/10.1006/jcis.1996.4680openalex-snapshot
Prediction of Critical Micelle Concentration Using a Quantitative Structure–Property Relationship Approach
inferredcites →https://doi.org/10.1016/0045-6535(83)90243-6openalex-snapshot
Structure activity relationships using molecular connectivity indices with principal component analysis
inferredcites →https://doi.org/10.1016/0045-6535(89)90468-2openalex-snapshot
Aqueous solubility and n-octanol/water partition coefficient correlations
inferredcites →https://doi.org/10.1016/0045-6535(90)90138-jopenalex-snapshot
General structure-vapor pressure relationships for organics
inferredcites →https://doi.org/10.1016/0160-9327(86)90116-xopenalex-snapshot
Molecular connectivity in structure-activity analysis
inferredcites →https://doi.org/10.1016/s0045-6535(96)00371-2openalex-snapshot
n-Octanol-water partition coefficients, aqueous solubilities and Henry's law constants of fatty acid esters
inferredcites →https://doi.org/10.1021/ci00019a019openalex-snapshot
Prediction of Aqueous Solubility of Organic Compounds
inferredcites →https://doi.org/10.1021/ci9501507openalex-snapshot
Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure−Property Relationship
inferredcites →https://doi.org/10.1021/ci960081bopenalex-snapshot
A QSPR Study of the Solubility of Gases and Vapors in Water
inferredcites →https://doi.org/10.1021/ci9700438openalex-snapshot
Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure
inferredcites →https://doi.org/10.1021/ci970289copenalex-snapshot
QSPR Prediction of Vapor Pressure from Solely Theoretically-Derived Descriptors
inferredcites →https://doi.org/10.1021/es00091a001openalex-snapshot
Calculating fugacity
inferredcites →https://doi.org/10.1021/es00136a004openalex-snapshot
Estimation of vapor pressures for polychlorinated biphenyls: a comparison of eleven predictive methods
inferredcites →https://doi.org/10.1021/es00136a005openalex-snapshot
Phase-transfer-catalyzed methylation of hydroxyaromatic acids, hydroxyaromatic aldehydes, and aromatic polycarboxylic acids
inferredcites →https://doi.org/10.1021/es00136a007openalex-snapshot
Relationships between octanol-water partition coefficient and aqueous solubility
inferredcites →https://doi.org/10.1021/es00136a008openalex-snapshot
Composition of fine particle regional sulfate component in Shenandoah Valley
inferredcites →https://doi.org/10.1021/es60158a003openalex-snapshot
Finding fugacity feasible
inferredcites →https://doi.org/10.1021/es60170a013openalex-snapshot
Water solubility and octanol/water partition coefficients of organics. Limitations of the solubility-partition coefficient correlation
inferredcites →https://doi.org/10.1021/i100003a016openalex-snapshot
Estimation of vapor pressures of heavy liquid hydrocarbons containing nitrogen or sulfur by a group-contribution method
inferredcites →https://doi.org/10.1021/i160072a010openalex-snapshot
Vapor Pressures of Heavy Liquid Hydrocarbons by a Group-Contribution Method
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/je60081a021openalex-snapshot
Solubilities and partitioning. 2. Relationships between aqueous solubilities, partition coefficients, and molecular surface areas of rigid aromatic hydrocarbons
inferredcites →https://doi.org/10.1021/jo01265a071openalex-snapshot
Linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids
inferredcites →https://doi.org/10.1021/jp953224qopenalex-snapshot
Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics
inferredcites →https://doi.org/10.1021/la950581jopenalex-snapshot
Prediction of Critical Micelle Concentration Using a Quantitative Structure−Property Relationship Approach. 1. Nonionic Surfactants
inferredcites →https://doi.org/10.1039/cs9952400279openalex-snapshot
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure
inferredcites →https://doi.org/10.1039/p29940001777openalex-snapshot
Hydrogen bonding. Part 34. The factors that influence the solubility of gases and vapours in water at 298 K, and a new method for its determination
inferredcites →https://doi.org/10.1063/1.555654openalex-snapshot
A critical review of Henry’s law constants for chemicals of environmental interest
inferredcites →https://doi.org/10.1080/10643389609388492openalex-snapshot
A critical review of Henry's law constants for environmental applications
inferredcites →https://doi.org/10.1201/9781351071772openalex-snapshot
Environmental Exposure From Chemicals
inferredcites →https://doi.org/10.1252/jcej.25.729openalex-snapshot
Computer-aided prediction of solubilities of organic compounds in water.
inferredcites →https://doi.org/10.1351/pac199769020245openalex-snapshot
QSPR as a means of predicting and understanding chemical and physical properties in terms of structure
inferredcites →https://doi.org/10.2134/jeq1993.00472425002200010034xopenalex-snapshot
Aqueous Solubility: Methods of Estimation for Organic Compounds

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4110665openalex-extracted
In Silico Package Solutions for Deriving Values of Solute Parameters in Linear Solvation Energy Relationships
inferred← citeshttps://doi.org/10.1002/(sici)1099-1395(199910)12:10<769::aid-poc197>3.0.co;2-gopenalex-snapshot
Understanding the volume-solubility dependence: the mobile order and disorder view
inferred← citeshttps://doi.org/10.1002/(sici)1099-1395(200001)13:1<80::aid-poc179>3.0.co;2-8openalex-snapshot
Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship
inferred← citeshttps://doi.org/10.1002/1520-6017(200102)90:2<234::aid-jps14>3.0.co;2-vopenalex-snapshot
Estimation of the aqueous solubility I: Application to organic nonelectrolytes
inferred← citeshttps://doi.org/10.1002/9781444317770.ch8openalex-snapshot
Modelling Flavour Release
inferred← citeshttps://doi.org/10.1002/9783527613083.ch3openalex-snapshot
Prediction of Physicochemical Properties
inferred← citeshttps://doi.org/10.1002/9783527613106.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527623860.ch4openalex-snapshot
In Silico Prediction of Solubility
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/chin.200129299openalex-snapshot
3D QSAR Models
inferred← citeshttps://doi.org/10.1002/chin.200322295openalex-snapshot
Halogens in Molecular Structure—Property Relationships
inferred← citeshttps://doi.org/10.1002/cmdc.201700303openalex-snapshot
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective
inferred← citeshttps://doi.org/10.1002/hc.21076openalex-snapshot
Synthesis and QSRR Study for a Series of Phosphoramidic Acid Derivatives
inferred← citeshttps://doi.org/10.1002/jcc.23139openalex-snapshot
Esters flash point prediction using artificial neural networks
inferred← citeshttps://doi.org/10.1002/jps.10022openalex-snapshot
Prediction of the aqueous solubility: Comparison of the general solubility equation and the method using an amended solvation energy relationship
inferred← citeshttps://doi.org/10.1002/jps.24301openalex-snapshot
Exploring In Silico Prediction of the Unbound Brain-to-Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation
inferred← citeshttps://doi.org/10.1002/minf.202400018openalex-snapshot
Chemoinformatic regression methods and their applicability domain
inferred← citeshttps://doi.org/10.1002/nadc.19990470310openalex-snapshot
Umweltchemie 1998
inferred← citeshttps://doi.org/10.1002/qsar.200330840openalex-snapshot
Analysis of water solubility data on the basis of HYBOT descriptors
inferred← citeshttps://doi.org/10.1002/qsar.200330843openalex-snapshot
Analysis of water solubility data on the basis of HYBOT descriptors.
inferred← citeshttps://doi.org/10.1002/qsar.200390020openalex-snapshot
Estimation of Aqueous Solubility By The General Solubility Equation (GSE) The Easy Way
inferred← citeshttps://doi.org/10.1002/qsar.200430862openalex-snapshot
Analysis of Water Solubility Data on the Basis of HYBOT Descriptors. Part 3. Solubility of Solid Neutral Chemicals and Drugs
inferred← citeshttps://doi.org/10.1002/qsar.200730032openalex-snapshot
Physicochemical Properties/Descriptors Governing the Solubility and Partitioning of Chemicals in Water–Solvent–Gas Systems. Vapor Pressure and Concentration of Chemicals Above Saturated Aqueous Solutions
inferred← citeshttps://doi.org/10.1007/978-0-387-44961-6_9openalex-snapshot
Computational Models Supporting Lead Optimization in Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-1-4939-2239-0_5openalex-snapshot
Use of Artificial Neural Networks in the QSAR Prediction of Physicochemical Properties and Toxicities for REACH Legislation
inferred← citeshttps://doi.org/10.1007/978-1-62703-050-2_6openalex-snapshot
Prediction of Physicochemical Properties
inferred← citeshttps://doi.org/10.1007/s00204-012-0934-zopenalex-snapshot
Quantitative structure–activity relationships for organophosphates binding to acetylcholinesterase
inferred← citeshttps://doi.org/10.1007/s00894-004-0224-7openalex-snapshot
QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants
inferred← citeshttps://doi.org/10.1007/s10822-023-00538-wopenalex-snapshot
Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state
inferred← citeshttps://doi.org/10.1007/s11095-018-2343-3openalex-snapshot
Cocrystal Solubility Product Prediction Using an in combo Model and Simulations to Improve Design of Experiments
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00279-0openalex-snapshot
In Silico Predictions of Solubility
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12341-8openalex-snapshot
Empirical and Physics-Based Calculations of Physical–Chemical Properties
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00058-3openalex-snapshot
Empirical and physics-based calculations of physical-chemical properties
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50010-xopenalex-snapshot
Applications of Topological Indices in the Property/Bioactivity/Toxicity Prediction of Chemicals
inferred← citeshttps://doi.org/10.1016/j.addr.2007.05.005openalex-snapshot
Computational approaches to determine drug solubility
inferred← citeshttps://doi.org/10.1016/j.atmosenv.2003.09.055openalex-snapshot
Molecular polarizability as a single-parameter predictor of vapour pressures and octanol–air partitioning coefficients of non-polar compounds: a priori approach and results
inferred← citeshttps://doi.org/10.1016/j.atmosenv.2010.01.041openalex-snapshot
Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.05.028openalex-snapshot
QSPR treatment of rat blood:air, saline:air and olive oil:air partition coefficients using theoretical molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.bmc.2005.06.066openalex-snapshot
QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptors
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.03.012openalex-snapshot
Correlation of blood–brain penetration using structural descriptors
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.05.014openalex-snapshot
QSAR modeling of the antifungal activity against Candida albicans for a diverse set of organic compounds
inferred← citeshttps://doi.org/10.1016/j.bmcl.2005.11.113openalex-snapshot
QSAR study of mosquito repellents using Codessa Pro
inferred← citeshttps://doi.org/10.1016/j.ces.2012.03.033openalex-snapshot
QSPR molecular approach for representation/prediction of very large vapor pressure dataset
inferred← citeshttps://doi.org/10.1016/j.chemolab.2016.02.003openalex-snapshot
Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2014.10.031openalex-snapshot
Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: Part 2. Aqueous solubility, octanol solubility and octanol–water partition coefficient
inferred← citeshttps://doi.org/10.1016/j.cherd.2016.10.014openalex-snapshot
Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2004.03.027openalex-snapshot
Solvent molecular descriptors on poly(d, l-lactide-co-glycolide) particle size in emulsification–diffusion process
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2006.10.001openalex-snapshot
Rapid QSPR model development technique for prediction of vapor pressure of organic compounds
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.05.073openalex-snapshot
The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.05.041openalex-snapshot
Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules
inferred← citeshttps://doi.org/10.1016/j.cropro.2020.105111openalex-snapshot
Synthesized dimers increased herbicidal activity with lowered volatility
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.2006.05.013openalex-snapshot
Contribution of solid-state properties to the aqueous solubility of drugs
inferred← citeshttps://doi.org/10.1016/j.envres.2020.110363openalex-snapshot
Quantitative structure–property relationships for the calculation of the soil adsorption coefficient using machine learning algorithms with calculated chemical properties from open-source software
inferred← citeshttps://doi.org/10.1016/j.fluid.2006.05.020openalex-snapshot
SVRC–QSPR model for predicting saturated vapor pressures of pure fluids
inferred← citeshttps://doi.org/10.1016/j.fluid.2013.10.006openalex-snapshot
Solvation-based modeling vapor pressures of (solvent + salt) systems with the application of Cox equation
inferred← citeshttps://doi.org/10.1016/j.fluid.2020.112595openalex-snapshot
Estimation of vapor pressures of liquid and solid organic and organometallic compounds at 298.15 K
inferred← citeshttps://doi.org/10.1016/j.ijpx.2019.100034openalex-snapshot
Tailor-made solvents for pharmaceutical use? Experimental and computational approach for determining solubility in deep eutectic solvents (DES)
inferred← citeshttps://doi.org/10.1016/j.jaerosci.2025.106595openalex-snapshot
Prediction of enthalpy of vaporization for particulate matter through molecular dynamics using OPLS force field
inferred← citeshttps://doi.org/10.1016/j.jct.2014.09.002openalex-snapshot
Modeling vapor pressures of solvent systems with and without a salt effect: An extension of the LSER approach
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.10.003openalex-snapshot
A rapid computational filter for predicting the rate of human renal clearance
inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.04.004openalex-snapshot
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms
inferred← citeshttps://doi.org/10.1016/j.jtice.2024.105926openalex-snapshot
Advancing vapor pressure prediction: A machine learning approach with directed message passing neural networks
inferred← citeshttps://doi.org/10.1016/j.saa.2011.08.046openalex-snapshot
Prediction of the maximum absorption wavelength of azobenzene dyes by QSPR tools
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2013.06.081openalex-snapshot
Validation of quantitative structure–activity relationship models to predict water-solubility of organic compounds
inferred← citeshttps://doi.org/10.1016/j.tiv.2018.12.017openalex-snapshot
VIVD: Virtual in vitro distribution model for the mechanistic prediction of intracellular concentrations of chemicals in in vitro toxicity assays
inferred← citeshttps://doi.org/10.1016/s0021-9673(99)00402-1openalex-snapshot
Quantitative structure–retention relationships of polychlorinated naphthalenes in gas chromatography
inferred← citeshttps://doi.org/10.1016/s0166-1280(01)00772-2openalex-snapshot
QSAR for dihydrofolate reductase inhibitors with molecular graph structural descriptors
inferred← citeshttps://doi.org/10.1016/s0169-409x(02)00008-xopenalex-snapshot
Prediction of drug solubility from structure
inferred← citeshttps://doi.org/10.1016/s0169-409x(03)00117-0openalex-snapshot
Prediction of physicochemical properties based on neural network modelling
inferred← citeshttps://doi.org/10.1016/s0308-8146(00)00190-4openalex-snapshot
An empirical model to predict the headspace concentration of volatile compounds above solutions containing sucrose
inferred← citeshttps://doi.org/10.1016/s0308-8146(03)00182-1openalex-snapshot
Dynamic flavour release from Miglyol/water emulsions: modelling and validation
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/s1574-1400(06)02008-1openalex-snapshot
Chapter 8 Machine Learning in Computational Chemistry
inferred← citeshttps://doi.org/10.1016/s1874-527x(02)80006-8openalex-snapshot
Halogens in molecular structure-property relationships
inferred← citeshttps://doi.org/10.1021/acs.est.7b03023openalex-snapshot
Henry’s Constants of Persistent Organic Pollutants by a Group-Contribution Method Based on Scaled-Particle Theory
inferred← citeshttps://doi.org/10.1021/acs.iecr.8b06289openalex-snapshot
Improvement to PR+COSMOSAC EOS for Predicting the Vapor Pressure of Nonelectrolyte Organic Solids and Liquids
inferred← citeshttps://doi.org/10.1021/acs.jafc.8b02584openalex-snapshot
Dicationic Ionic Liquids of Herbicide 2,4-Dichlorophenoxyacetic Acid with Reduced Negative Effects on Environment
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.jcim.9b00345openalex-snapshot
Solubility Challenge Revisited after Ten Years, with Multilab Shake-Flask Data, Using Tight (SD ∼ 0.17 log) and Loose (SD ∼ 0.62 log) Test Sets
inferred← citeshttps://doi.org/10.1021/acsomega.4c06163openalex-snapshot
Revisiting the Application of Machine Learning Approaches in Predicting Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/ci010323uopenalex-snapshot
A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds
inferred← citeshttps://doi.org/10.1021/ci025561jopenalex-snapshot
A Fuzzy ARTMAP-Based Quantitative Structure−Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds
inferred← citeshttps://doi.org/10.1021/ci034107sopenalex-snapshot
Support Vector Machines for the Estimation of Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/ci034194oopenalex-snapshot
Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment
inferred← citeshttps://doi.org/10.1021/ci0600206openalex-snapshot
Neural Networks Convergence Using Physicochemical Data
inferred← citeshttps://doi.org/10.1021/ci1000828openalex-snapshot
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients
inferred← citeshttps://doi.org/10.1021/ci800021popenalex-snapshot
Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?
inferred← citeshttps://doi.org/10.1021/ci800024copenalex-snapshot
Scores of Extended Connectivity Fingerprint as Descriptors in QSPR Study of Melting Point and 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/ci980117vopenalex-snapshot
Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure−Property Model
inferred← citeshttps://doi.org/10.1021/ci9900884openalex-snapshot
Evaluation in Quantitative Structure−Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators
inferred← citeshttps://doi.org/10.1021/ci9903206openalex-snapshot
Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
inferred← citeshttps://doi.org/10.1021/cr900238dopenalex-snapshot
Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
inferred← citeshttps://doi.org/10.1021/ie3002099openalex-snapshot
Determination of Vapor Pressure of Chemical Compounds: A Group Contribution Model for an Extremely Large Database
inferred← citeshttps://doi.org/10.1021/je700607bopenalex-snapshot
Quantitative Structure–Property Relationship Studies on Ostwald Solubility and Partition Coefficients of Organic Solutes in Ionic Liquids
inferred← citeshttps://doi.org/10.1021/jf980922+openalex-snapshot
A Simple Structure-Based Calculator for Estimating Vapor Pressure
inferred← citeshttps://doi.org/10.1021/jp048813nopenalex-snapshot
Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model
inferred← citeshttps://doi.org/10.1021/jp992435iopenalex-snapshot
Prediction of Vapor Pressures from Self-Solvation Free Energies Calculated by the SM5 Series of Universal Solvation Models
inferred← citeshttps://doi.org/10.1021/js9901007openalex-snapshot
The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship
inferred← citeshttps://doi.org/10.1021/js990117popenalex-snapshot
UPPER III: Unified physical property estimation relationships. Application to non‐hydrogen bonding aromatic compounds
inferred← citeshttps://doi.org/10.1023/a:1008703513479openalex-snapshot
Hydrophobic and solvation effects on the solubility of hydroxysteroids in various solvents: Quantitative and qualitative assessment by application of the mobile order and disorder theory
inferred← citeshttps://doi.org/10.1038/s41467-025-62717-7openalex-snapshot
Data-driven organic solubility prediction at the limit of aleatoric uncertainty
inferred← citeshttps://doi.org/10.1039/d2dd00024eopenalex-snapshot
A unified ML framework for solubility prediction across organic solvents
inferred← citeshttps://doi.org/10.1080/00319104.2012.708932openalex-snapshot
Application of QSPR for the prediction of gas to 1-octanol solvation enthalpy using support vector regression
inferred← citeshttps://doi.org/10.1080/02772249909358858openalex-snapshot
Aqueous coefficient calculations for chemicals and drugs
inferred← citeshttps://doi.org/10.1080/10406638.2023.2222457openalex-snapshot
Computing Molecular Descriptors of Polyphenylene Dendrimer
inferred← citeshttps://doi.org/10.1080/1062936031000073135openalex-snapshot
Quantitative structure-property relationships for vapor pressures of polybrominated diphenyl ethers
inferred← citeshttps://doi.org/10.1080/10629360410001665857openalex-snapshot
Data evaluations and quantitative predictive models for vapor pressures of polycyclic aromatic hydrocarbons at different temperatures
inferred← citeshttps://doi.org/10.1080/10629360412331319862openalex-snapshot
QSPR analysis of the partitioning of vaporous chemicals in a water–gas phase system and the water solubility of liquid and solid chemicals on the basis of fragment and physicochemical similarity and HYBOT descriptors
inferred← citeshttps://doi.org/10.1080/10629360802083855openalex-snapshot
Prediction of drug solubility from molecular structure using a drug-like training set
inferred← citeshttps://doi.org/10.1080/10629360902726007openalex-snapshot
Predicting the vapour pressure of chemicals from structure: a comparison of graph theoretic versus quantum chemical descriptors
inferred← citeshttps://doi.org/10.1080/10629360902949567openalex-snapshot
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)
inferred← citeshttps://doi.org/10.1080/1062936x.2013.773372openalex-snapshot
QSPR prediction of physico-chemical properties for REACH
inferred← citeshttps://doi.org/10.1080/1062936x.2022.2162576openalex-snapshot
In silico package models for deriving values of solute parameters in linear solvation energy relationships
inferred← citeshttps://doi.org/10.1080/10643389.2014.955627openalex-snapshot
Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review
inferred← citeshttps://doi.org/10.1080/15287394.2010.501716openalex-snapshot
Quantitative Structure–Activity Relationships for Organophosphates Binding to Trypsin and Chymotrypsin
inferred← citeshttps://doi.org/10.1088/1752-7155/10/1/017103openalex-snapshot
Prediction of blood:air and fat:air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis
inferred← citeshttps://doi.org/10.1093/bioinformatics/bti314openalex-snapshot
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates
inferred← citeshttps://doi.org/10.1111/j.0272-4332.2003.00390.xopenalex-snapshot
Prediction of Human Blood: Air Partition Coefficient: A Comparison of Structure‐Based and Property‐Based Methods
inferred← citeshttps://doi.org/10.1124/dmd.110.034462openalex-snapshot
Prediction of Efficacious Inhalation Lung Doses via the Use of In Silico Lung Retention Quantitative Structure-Activity Relationship Models and In Vitro Potency Screens
inferred← citeshttps://doi.org/10.1124/dmd.112.047068openalex-snapshot
Mitigating the Inhibition of Human Bile Salt Export Pump by Drugs: Opportunities Provided by Physicochemical Property Modulation, In Silico Modeling, and Structural Modification
inferred← citeshttps://doi.org/10.1134/s1054661825700427openalex-snapshot
Empirical Method for Assessing the Chirality of Objects in the Material World: From Molecular to Galactic Scales
inferred← citeshttps://doi.org/10.1155/2019/3050486openalex-snapshot
The Design, Synthesis, and Characterization of Resveratrol Derivatives Modified by Different γ-Aminobutyric Acid Esters
inferred← citeshttps://doi.org/10.1186/s13321-025-01000-9openalex-snapshot
Prediction of the water solubility by a graph convolutional-based neural network on a highly curated dataset
inferred← citeshttps://doi.org/10.1201/9781420065442.ch31openalex-snapshot
Predicting Chemical Reactivity and Bioactivity of Molecules from Structure
inferred← citeshttps://doi.org/10.1517/17460441.1.1.31openalex-snapshot
In silicoprediction of aqueous solubility
inferred← citeshttps://doi.org/10.1533/9781845691400.2.229openalex-snapshot
Modelling aroma interactions in food matrices
inferred← citeshttps://doi.org/10.1897/01-363openalex-snapshot
Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point
inferred← citeshttps://doi.org/10.1897/01-605openalex-snapshot
Quantitative structure-property relationships for predicting henry's law constant from molecular structure
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3186790/v1openalex-snapshot
On Novel Molecular Topological Characteristics of Polyphenylene Dendrimers
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3544641/v1openalex-snapshot
Machine Learning for Solubility Prediction
inferred← citeshttps://doi.org/10.21236/ada434129openalex-snapshot
Use of Biodescriptors and Chemodescriptors in Predictive Toxicology: A Mathematical/Computational Approach
inferred← citeshttps://doi.org/10.21427/d7bg85openalex-snapshot
Innovative Food Product Development using Molecular Gastronomy; A Focus on Flavour and Sensory Evaluation
inferred← citeshttps://doi.org/10.21608/ijma.2023.248594.1867openalex-snapshot
Liquid-Liquid Phase Separation at the Surface of Dissolving Drug Salt Particles: Prediction
inferred← citeshttps://doi.org/10.2174/1568026023392922openalex-snapshot
The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors
inferred← citeshttps://doi.org/10.3390/pharmaceutics13071101openalex-snapshot
Application of Artificial Neural Networks to Predict the Intrinsic Solubility of Drug-Like Molecules
inferred← citeshttps://doi.org/10.3390/pharmaceutics14122560openalex-snapshot
Thermodynamic Correlation between Liquid–Liquid Phase Separation and Crystalline Solubility of Drug-Like Molecules
inferred← citeshttps://doi.org/10.3390/pr7070462openalex-snapshot
Topological Characterization of Nanosheet Covered by C3 and C6
inferred← citeshttps://doi.org/10.4236/aim.2017.77045openalex-snapshot
Effects of Hypobaric and Hyperbaric Pressures on Mycelial Growth of Isolated Strain of Wild Ophiocordyceps sinensis
inferred← citeshttps://doi.org/10.5194/acp-23-10901-2023openalex-snapshot
Compilation of Henry's law constants (version 5.0.0) for water as solvent
inferred← citeshttps://doi.org/10.55544/jrasb.1.5.5openalex-snapshot
BCS Class II Drug & Its Solubility Enhancement: A Review
inferred← citeshttps://doi.org/10.5599/admet.698openalex-snapshot
Multi-lab intrinsic solubility measurement reproducibility in CheqSol and shake-flask methods
inferred← citeshttps://doi.org/10.5599/admet.766openalex-snapshot
Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database
inferred← citeshttps://doi.org/10.5599/admet.850openalex-snapshot
Global testing of a consensus solubility assessment to enhance robustness of the WHO biopharmaceutical classification system
inferred← citeshttps://doi.org/10.70675/b18e48d8z0e24z4fa7z9642z18d849e35f86openalex-snapshot
Etude et modélisation de la composition du gaz fermentaire en conditions œnologiques : intéret pour le controle de la fermentation
inferred← citeshttps://doi.org/10.70675/e21b1231za4b9z43cfzb273zfc8e1d49b533openalex-snapshot
Modélisation pharmacocinétique et pharmacodynamique de la toxicité développementale de l'embryon de poisson zèbre.
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.