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Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/aic.690210607openalex-snapshot
Group‐contribution estimation of activity coefficients in nonideal liquid mixtures
inferredcites →https://doi.org/10.1002/aic.690280225openalex-snapshot
Correlation of activity coefficients of hydrocarbons in water at infinite dilution with molecular parameters
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Activity coefficients in dilute aqueous solutions from free energy simulations
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Computer assisted studies of chemical structure and biological function
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Dechema Chemistry Data Series
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Infinite-dilution activity coefficients from computer simulation
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Limiting activity coefficients of triethylamine in 30 solvents by a simple gas-liquid chromatographic method
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Quantum chemical descriptors for linear solvation energy relationships
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Quantum chemistry program exchange
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Determination of activity coefficients by accurate measurement of boiling point diagram
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Measurement of limiting activity coefficients for aqueous systems by differential ebulliometry
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Practical methods of optimization
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Determination of chlorinated benzenes in bottom sediment samples by WCOT column gas chromatography
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Gamma-Gamma Coincidence Counting Applied to Chlorine Analysis by Neutron Activation.
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Gas-liquid chromatographic determination of solution properties of oxygenated compounds in water
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Studies of Chemical Structure-Biological Activity Relations Using Pattern Recognition
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Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing
inferredcites →https://doi.org/10.1021/es00033a018openalex-snapshot
Infinite dilution activity coefficients and solubilities of halogenated hydrocarbons in water at ambient temperatures
inferredcites →https://doi.org/10.1021/i260073a025openalex-snapshot
Infinite Dilution Activity Coefficients of Linear and Branched Alkanes from C1 to C9 in n-Hexadecane by Inert Gas Stripping
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Vapor-liquid equilibria by UNIFAC group contribution. 5. Revision and extension
inferredcites →https://doi.org/10.1021/ie00058a018openalex-snapshot
Decomposition of dichlorodifluoromethane on boron phosphate (BPO4) catalyst
inferredcites →https://doi.org/10.1021/ie950281xopenalex-snapshot
Compilation and Correlation of Limiting Activity Coefficients of Nonelectrolytes in Water
inferredcites →https://doi.org/10.1021/je00060a018openalex-snapshot
Limiting activity coefficients from an improved differential boiling point technique
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Bubble pressures and saturated liquid molar volumes of binary and ternary refrigerant mixtures
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Aqueous solubility of polynuclear aromatic hydrocarbons
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Solubilities and partitioning. 2. Relationships between aqueous solubilities, partition coefficients, and molecular surface areas of rigid aromatic hydrocarbons
inferredcites →https://doi.org/10.1021/jm00196a017openalex-snapshot
Chance factors in studies of quantitative structure-activity relationships
inferredcites →https://doi.org/10.1021/jm00196a018openalex-snapshot
A preliminary structure-activity study of the mixed-function oxidase inhibitor, 7,8-benzoflavone
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A Family of Variable-Metric Methods Derived by Variational Means
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Conditioning of Quasi-Newton Methods for Function Minimization
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The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations
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Determination of new ASOG parameters.
inferredcites →https://doi.org/10.1252/jcej.23.463openalex-snapshot
Jet mixing of liquids with a rotating nozzle around the axis of a cylindrical vessel.
inferredcites →https://doi.org/10.1252/jcej.9.267openalex-snapshot
The determination of group Wilson parameters to activity coefficients by ebulliometer.
inferredcites →https://doi.org/10.1252/jcej.9.273openalex-snapshot
Isobaric vapor-liquid equilibrium data of propionic acid-m-xylene system.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers
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inferred← citeshttps://doi.org/10.1002/qsar.200860022openalex-snapshot
Characterization of Mixtures Part 1: Prediction of Infinite‐Dilution Activity Coefficients Using Neural Network‐Based QSPR Models
inferred← citeshttps://doi.org/10.1007/s10822-006-9079-6openalex-snapshot
Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors
inferred← citeshttps://doi.org/10.1007/s10953-010-9629-3openalex-snapshot
Predicting Infinite Dilution Activity Coefficients of Chlorinated Organic Compounds in Aqueous Solution Based on Three-Dimensional WHIM and GETAWAY Descriptors
inferred← citeshttps://doi.org/10.1007/s10953-020-00954-8openalex-snapshot
Atomic-Level Topological Indices for Prediction of the Infinite Dilution Activity Coefficients of Oxo Compounds in Water
inferred← citeshttps://doi.org/10.1016/j.atmosenv.2010.10.013openalex-snapshot
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Prediction of infinite dilution activity coefficients for compounds in water at 298.15 K using reversed-phase liquid chromatography
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Predicting infinite dilution activity coefficients with the group contribution solvation model: an extension of its applicability to aqueous systems
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Prediction of 1-octanol–water partition coefficient and infinite dilution activity coefficient in water from the PR+COSMOSAC model
inferred← citeshttps://doi.org/10.1016/j.fluid.2009.12.032openalex-snapshot
QSPR analysis of infinite dilution activity coefficients of chlorinated organic compounds in water
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.2017.09.026openalex-snapshot
The correlation and prediction of the temperature variation of infinite dilution activity coefficients of compounds in water
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Solvation behavior of solutes in dilute solutions novel formal results, rules of thumb, and potential modeling pitfalls
inferred← citeshttps://doi.org/10.1016/j.fluid.2019.112362openalex-snapshot
Activity coefficients at infinite dilution of organic solutes, using novel N-(2′, 3′-epoxypropyl)-N-methyl-2-oxopyrrolidinium chloride ionic liquid by GLC
inferred← citeshttps://doi.org/10.1016/j.jcoa.2025.100292openalex-snapshot
Surrogate chromatographic models and the solvation parameter model
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117854openalex-snapshot
Application of a synthesized ionic liquid for possible use in industrial separation problems: A useful tool for solvent selection
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A QSPR study of infinite dilution activity coefficients of organic compounds in aqueous solutions
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Halogens in molecular structure-property relationships
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Polyparameter Linear Free Energy Relationships for Partitioning of Neutral Organic Compounds to Storage Lipids
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Assessment of Pyrrolidinium-Based Ionic Liquid for the Separation of Binary Mixtures Based on Activity Coefficients at Infinite Dilution
inferred← citeshttps://doi.org/10.1021/acs.jpclett.9b03657openalex-snapshot
Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion
inferred← citeshttps://doi.org/10.1021/acsomega.3c00368openalex-snapshot
New Model to Predict Infinite Dilution Activity Coefficients Based on (∂p/∂x)T,x → 0
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