On the public citation graph
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents
0 signed · 62 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.
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known work and none has been retracted — and get a dated CiteStamped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.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://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
inferredcites →https://doi.org/10.1002/3527601791openalex-snapshot
Solvents and Solvent Effects in Organic Chemistry
inferredcites →https://doi.org/10.1002/qua.10591openalex-snapshot
Synergistic interactions among QSAR descriptors
inferredcites →https://doi.org/10.1016/0003-2670(92)85390-ropenalex-snapshot
Factor analysis in chemistry
inferredcites →https://doi.org/10.1016/0165-9936(92)80058-eopenalex-snapshot
Chemometrics in analytical chemistry
inferredcites →https://doi.org/10.1016/s0003-2670(00)86201-7openalex-snapshot
Chemical Pattern Recognition
inferredcites →https://doi.org/10.1016/s0003-2670(03)00553-1openalex-snapshot
Study of gas–liquid partitioning of alkane solutes in several organic solvents by using principal component analysis and linear solvation energy relationships
inferredcites →https://doi.org/10.1021/ci980117vopenalex-snapshot
Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure−Property Model
inferredcites →https://doi.org/10.1021/ci980226+openalex-snapshot
A Unified Treatment of Solvent Properties
inferredcites →https://doi.org/10.1021/ja00183a002openalex-snapshot
Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in five- and six-membered heterocycles
inferredcites →https://doi.org/10.1021/ja00287a001openalex-snapshot
Approach to a general classification of solvents using a multivariate statistical treatment of quantitative solvent parameters
inferredcites →https://doi.org/10.1021/ja00526a014openalex-snapshot
BC(DEF) parameters. 2. An empirical structure-based scheme for the prediction of some physical properties
inferredcites →https://doi.org/10.1021/jm00390a002openalex-snapshot
The role of solvent-accessible surface area in determining partition coefficients
inferredcites →https://doi.org/10.1021/jm00390a003openalex-snapshot
Peptide quantitative structure-activity relationships, a multivariate approach
inferredcites →https://doi.org/10.1021/jo970939bopenalex-snapshot
Aromaticity as a Quantitative Concept. 7. Aromaticity Reaffirmed as a Multidimensional Characteristic
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/10.1039/cs9952400279openalex-snapshot
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure
inferredcites →https://doi.org/10.1063/1.1749657openalex-snapshot
Statistical Mechanics of Fluid Mixtures
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cjoc.200890162openalex-snapshot
Application of PC‐ANN to Acidity Constant Prediction of Various Phenols and Benzoic Acids in Water
inferred← citeshttps://doi.org/10.1002/jcc.24689openalex-snapshot
Predicting hydrophobic solvation by molecular simulation: 2. New united‐atom model for alkanes, alkenes, and alkynes
inferred← citeshttps://doi.org/10.1002/jcc.24690openalex-snapshot
Predicting hydrophobic solvation by molecular simulation: 1. Testing united‐atom alkane models
inferred← citeshttps://doi.org/10.1002/jps.21647openalex-snapshot
Informatic Calibration of a Materials Properties Database for Predictive Assessment of Mechanically Activated Disordering Potential for Small Molecule Organic Solids
inferred← citeshttps://doi.org/10.1002/qsar.200710035openalex-snapshot
Unified Physicochemical QSPR Model of the Partitioning and Solubility of Chemicals in the Triple System “Water–Octanol–Air”
inferred← citeshttps://doi.org/10.1002/wcms.1560openalex-snapshot
Quantitative predictions from molecular simulations using explicit or implicit interactions
inferred← citeshttps://doi.org/10.1007/s00706-008-0049-7openalex-snapshot
Application of principal component-genetic algorithm-artificial neural network for prediction acidity constant of various nitrogen-containing compounds in water
inferred← citeshttps://doi.org/10.1007/s00706-008-0951-zopenalex-snapshot
Prediction of basicity constants of various pyridines in aqueous solution using a principal component-genetic algorithm-artificial neural network
inferred← citeshttps://doi.org/10.1016/j.ejmech.2013.01.019openalex-snapshot
New annelated thieno[2,3- e ][1,2,3]triazolo[1,5- a ]pyrimidines, with potent anticancer activity, designed through VLAK protocol
inferred← citeshttps://doi.org/10.1016/j.fluid.2011.11.015openalex-snapshot
Gibbs free energy of hydrogen bonding of aliphatic alcohols with liquid water at 298K
inferred← citeshttps://doi.org/10.1016/j.jct.2013.05.006openalex-snapshot
Thermodynamics of solvation and solvophobic effect in formamide
inferred← citeshttps://doi.org/10.1016/j.jmgm.2022.108312openalex-snapshot
Force fields optimized against experimental data for large compound families using CombiFF: Validation considering non-target properties and polyfunctional compounds
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.115738openalex-snapshot
Thermodynamics of cavity formation in different solvents: Enthalpy, entropy, and the solvophobic effects
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117573openalex-snapshot
The quantitative structure-property relationships for the gas-ionic liquid partition coefficient of a large variety of organic compounds in three ionic liquids
inferred← citeshttps://doi.org/10.1016/j.molliq.2022.120762openalex-snapshot
Compensation relationship in thermodynamics of solvation and vaporization: Features and applications. I. Non-hydrogen-bonded systems
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.121205openalex-snapshot
Compensation relationship in thermodynamics of solvation and vaporization: Features and applications. II. Hydrogen-bonded systems
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.128184openalex-snapshot
A multicomponent QSPR approach to describe and predict the gas-ionic liquid distribution of organic solutes using machine learning
inferred← citeshttps://doi.org/10.1021/acs.jced.5b00768openalex-snapshot
On the Solubility of Ferrocene in Nonaqueous Solvents
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01127openalex-snapshot
An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00106openalex-snapshot
Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00081openalex-snapshot
Correction to Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00901openalex-snapshot
Solvent-Specific Featurization for Predicting Free Energies of Solvation through Machine Learning
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00688openalex-snapshot
Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b00934openalex-snapshot
Using MD Simulations To Calculate How Solvents Modulate Solubility
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c02628openalex-snapshot
Exploring the Influence of Ionic Liquid Anion Structure on Gas-Ionic Liquid Partition Coefficients of Organic Solutes Using Machine Learning
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/ci2000192openalex-snapshot
Anisotropic Solvent Model of the Lipid Bilayer. 1. Parameterization of Long-Range Electrostatics and First Solvation Shell Effects
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/je1011532openalex-snapshot
Determining the Gibbs Energies of Hydrogen-Bonding Interactions of Proton-Accepting Solutes in Aqueous Solutions from Thermodynamic Data at 298 K with Regard to the Hydrophobic Effect
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/10.1039/d1cp00215eopenalex-snapshot
Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies
inferred← citeshttps://doi.org/10.1039/d5ra08246copenalex-snapshot
Dimensionality reduction of COSMO-RS molecular descriptor using functional principal component analysis (FPCA) for organic solvent mapping
inferred← citeshttps://doi.org/10.1080/00319104.2025.2605435openalex-snapshot
Development of updated Abraham model correlations for predicting solute transfer into 1,4-dioxane and methyl acetate from both water and the gas phase
inferred← citeshttps://doi.org/10.1134/s0022476613080076openalex-snapshot
Solvophobic effects: Qualitative determination and quantitative description
inferred← citeshttps://doi.org/10.1142/s1088424606000223openalex-snapshot
Binding of 1-methylimidazole to heme determined by factor analysis
inferred← citeshttps://doi.org/10.2174/978160805379711201010003openalex-snapshot
QSAR, Complex Networks, Principal Components and Partial Order Analysis of Drug Cardiotoxicity with Proteome Mass- Spectra Topological Indices
inferred← citeshttps://doi.org/10.3390/ecsoc-11-01371openalex-snapshot
Predicting Proteome-Early Drug Induced Cardiac Toxicity Relationships (Pro-EDICToRs) with Node Overlapping Parameters (NOPs) of a new class of Blood Mass-Spectra graphs
inferred← citeshttps://doi.org/10.3390/ijms23147534openalex-snapshot
Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons
inferred← citeshttps://doi.org/10.3390/liquids5020017openalex-snapshot
Compensation Relationships in the Solvation Thermodynamics of Proton Acceptors in Aliphatic Alcohols
inferred← citeshttps://doi.org/10.3390/molecules31091482openalex-snapshot
Navigating the Solubility Landscape of APIs in Deep Eutectic Solvents: A Data-Driven Thermodynamic Taxonomy of Solvation Regimes and Mechanisms
inferred← citeshttps://doi.org/10.3390/molecules31193562openalex-snapshot
General Relationship Between Gibbs Energies and Enthalpies of Solvation, Vaporization, and Complexation for Molecular Compounds
inferred← citeshttps://doi.org/10.3390/pharmaceutics14102248openalex-snapshot
Intrinsic Aqueous Solubility: Mechanistically Transparent Data-Driven Modeling of Drug Substances
inferred← citeshttps://doi.org/10.5012/bkcs.2008.29.4.833openalex-snapshot
Prediction of Melting Point for Drug-like Compounds Using Principal Component-Genetic Algorithm-Artificial Neural Network
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.