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Prediction of Gas Chromatographic Retention Times and Response Factors Using a General Qualitative Structure-Property Relationships Treatment
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Calculation of linear temperature programmed capillary gas chromatographic retention indexes of polycyclic aromatic compounds
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Prediction of gas chromatographic retention indexes with topological, physicochemical, and quantum chemical parameters
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Relationship between gas chromatographic retention indexes and molecular connectivities of nitrated polycyclic aromatic hydrocarbons
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inferred← citeshttps://doi.org/10.1021/ci0000878openalex-snapshot
Use of 13C NMR Spectrometric Data To Produce a Predictive Model of Estrogen Receptor Binding Activity
inferred← citeshttps://doi.org/10.1021/ci000099topenalex-snapshot
CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities
inferred← citeshttps://doi.org/10.1021/ci000134wopenalex-snapshot
Interpretation of Quantitative Structure−Property and −Activity Relationships
inferred← citeshttps://doi.org/10.1021/ci000312lopenalex-snapshot
Models of Polychlorinated Dibenzodioxins, Dibenzofurans, and Biphenyls Binding Affinity to the Aryl Hydrocarbon Receptor Developed Using 13C NMR Data
inferred← citeshttps://doi.org/10.1021/ci000331vopenalex-snapshot
Producing 13C NMR, Infrared Absorption, and Electron Ionization Mass Spectrometric Data Models of the Monodechlorination of Chlorobenzenes, Chlorophenols, and Chloroanilines
inferred← citeshttps://doi.org/10.1021/ci010116uopenalex-snapshot
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure−Property Relationships
inferred← citeshttps://doi.org/10.1021/ci010285eopenalex-snapshot
13C NMR Quantitative Spectrometric Data-Activity Relationship (QSDAR) Models of Steroids Binding the Aromatase Enzyme
inferred← citeshttps://doi.org/10.1021/ci0103370openalex-snapshot
Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems
inferred← citeshttps://doi.org/10.1021/ci025511eopenalex-snapshot
Comparative Structural Connectivity Spectra Analysis (CoSCoSA) Models of Steroid Binding to the Corticosteroid Binding Globulin
inferred← citeshttps://doi.org/10.1021/ci025597bopenalex-snapshot
Quantum-Mechanical QSAR/QSPR Descriptors from Momentum-Space Wave Functions
inferred← citeshttps://doi.org/10.1021/ci0304268openalex-snapshot
Prediction of Thermodynamic Parameters in Gas Chromatography from Molecular Structure: Hydrocarbons
inferred← citeshttps://doi.org/10.1021/ci950156wopenalex-snapshot
Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure−Property Relationship Treatment
inferred← citeshttps://doi.org/10.1021/ci960081bopenalex-snapshot
A QSPR Study of the Solubility of Gases and Vapors in Water
inferred← citeshttps://doi.org/10.1021/ci970011kopenalex-snapshot
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale
inferred← citeshttps://doi.org/10.1021/ci970029vopenalex-snapshot
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure−Property Relationship
inferred← citeshttps://doi.org/10.1021/ci970071qopenalex-snapshot
Relationships of Critical Temperatures to Calculated Molecular Properties
inferred← citeshttps://doi.org/10.1021/ci980028iopenalex-snapshot
General Quantitative Structure−Property Relationship Treatment of the Refractive Index of Organic Compounds
inferred← citeshttps://doi.org/10.1021/ci980090fopenalex-snapshot
Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling
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/ci980161aopenalex-snapshot
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors
inferred← citeshttps://doi.org/10.1021/ci9900433openalex-snapshot
Prediction of Vapor Pressures of Hydrocarbons and Halohydrocarbons from Molecular Structure with a Computational Neural Network Model
inferred← citeshttps://doi.org/10.1021/ci990071lopenalex-snapshot
Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model
inferred← citeshttps://doi.org/10.1021/ci990129wopenalex-snapshot
Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure−Retention Relationship Models for Alkylphenols in Gas−Liquid Chromatography
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/ci9903298openalex-snapshot
Development of Quantitative Structure−Property Relationships Using Calculated Descriptors for the Prediction of the Physicochemical Properties (nD, ρ, bp, ε, η) of a Series of Organic Solvents
inferred← citeshttps://doi.org/10.1021/cm980674xopenalex-snapshot
Prediction of the Clearing Temperatures of a Series of Liquid Crystals from Molecular Structure
inferred← citeshttps://doi.org/10.1021/cr000088zopenalex-snapshot
Reactivity of Organic Compounds in Superheated Water: General Background
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/cr950202ropenalex-snapshot
Quantum-Chemical Descriptors in QSAR/QSPR Studies
inferred← citeshttps://doi.org/10.1021/ef040033qopenalex-snapshot
How Chemical Structure Determines Physical, Chemical, and Technological Properties: An Overview Illustrating the Potential of Quantitative Structure−Property Relationships for Fuels Science
inferred← citeshttps://doi.org/10.1021/ef050289bopenalex-snapshot
Prediction of Gas Chromatographic Retention Times of Carbazoles in Light Cycle Oil
inferred← citeshttps://doi.org/10.1021/ef402489copenalex-snapshot
Measuring Sulfur Content and Corrosivity of North American Petroleum with the Advanced Distillation Curve Method
inferred← citeshttps://doi.org/10.1021/ef960073xopenalex-snapshot
Aqueous High-Temperature Chemistry of Carbo- and Heterocycles. 28.1 Reactions of Aryl Sulfoxides and Sulfones in Sub- and Supercritical Water at 200−460 °C
inferred← citeshttps://doi.org/10.1021/jasms.4c00301openalex-snapshot
A Rapid Analysis Method for Determination of Hydrocarbon Types in Aviation Turbine Fuel by Gas Chromatography-Mass Spectrometry
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1021/js960196uopenalex-snapshot
Molecular Structure and Gas Chromatographic Retention Behavior of the Components of Ylang-Ylang Oil
inferred← citeshttps://doi.org/10.1021/la950581jopenalex-snapshot
Prediction of Critical Micelle Concentration Using a Quantitative Structure−Property Relationship Approach. 1. Nonionic Surfactants
inferred← citeshttps://doi.org/10.1023/a:1011959120313openalex-snapshot
Developing 13C NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroid binding to the corticosteroid binding globulin
inferred← citeshttps://doi.org/10.1039/b000780nopenalex-snapshot
High quality structure–property regressions. Boiling points of smaller alkanes
inferred← citeshttps://doi.org/10.1039/b800148kopenalex-snapshot
Prediction of quantitative calibration factors of some organic compounds in gas chromatography
inferred← citeshttps://doi.org/10.1039/c2dt31086dopenalex-snapshot
Synthetic and computational studies of the palladium(iv) system Pd(alkyl)(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C–C reductive elimination
inferred← citeshttps://doi.org/10.1039/c9se00375dopenalex-snapshot
Solvent assisted catalytic conversion of beech wood and organosolv lignin over NiMo/γ-Al 2 O 3
inferred← citeshttps://doi.org/10.1039/cs9952400279openalex-snapshot
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure
inferred← citeshttps://doi.org/10.1039/d0ra05231kopenalex-snapshot
PLS and N-PLS based MIA-QSPR modeling of the photodegradation half-lives for polychlorinated biphenyl congeners
inferred← citeshttps://doi.org/10.1080/00032710802514881openalex-snapshot
Application of Correlation Ranking Procedure and Artificial Neural Networks in the Modeling of Liquid Chromatographic Retention Times (tR) of Various Pesticides
inferred← citeshttps://doi.org/10.1080/01496390500446194openalex-snapshot
QSPR Modelling of Lanthanide‐Organic Complex Stability Constants
inferred← citeshttps://doi.org/10.1080/01496395.2017.1297830openalex-snapshot
Algebraic conditions, in terms of the solvent partition constants, for the separation of chemical classes by gas–liquid chromatography
inferred← citeshttps://doi.org/10.1080/02772240009358904openalex-snapshot
An analysis of the chromatographic behavior of the environmental contaminants polychlorinated naphthalenes using electrical and topological descriptors
inferred← citeshttps://doi.org/10.1080/02772249709358438openalex-snapshot
Aqueous high‐temperature chemistry of organophosphorus compounds
inferred← citeshttps://doi.org/10.1080/02772249909358852openalex-snapshot
An analysis of the chromatographic behavior of the environmental contaminants polychlorinated naphthalenes using electrical and topological descriptors
inferred← citeshttps://doi.org/10.1080/08927022.2025.2472842openalex-snapshot
Breaking barriers in peptide therapeutics: hydrocarbon stapling of Temporin-FL peptide for improved bacterial membrane disruption
inferred← citeshttps://doi.org/10.1080/10629360108035362openalex-snapshot
Quantitative Structure-Retention Relationships for Gas Chromatographic Retention Indices of Alkylbenzenes with Molecular Graph Descriptors
inferred← citeshttps://doi.org/10.1093/chromsci/45.6.360openalex-snapshot
Investigation of General Expression to Predict the Molar Response Factor in the GC for Monosubstituted Alkanes
inferred← citeshttps://doi.org/10.1093/chromsci/47.2.156openalex-snapshot
QSRR Prediction of the Chromatographic Retention Behavior of Painkiller Drugs
inferred← citeshttps://doi.org/10.1093/chromsci/48.4.317openalex-snapshot
Quantitative Structure-Retention Relationship Study of Some Phenol Derivatives in Gas Chromatography
inferred← citeshttps://doi.org/10.1093/chromsci/bmr048openalex-snapshot
Utilization of Internal Standard Response Factors to Estimate the Concentration of Organic Compounds Leached from Pharmaceutical Packaging Systems and Application of Such Estimated Concentrations to Safety Assessment
inferred← citeshttps://doi.org/10.1111/ina.12101openalex-snapshot
Volatile organic compounds in fourteen U.S. retail stores
inferred← citeshttps://doi.org/10.1255/ejms.1432openalex-snapshot
A Simple Protocol for Quantitative Analysis of Bio-Oils through Gas-Chromatography/Mass Spectrometry
inferred← citeshttps://doi.org/10.12794/metadc2048656openalex-snapshot
Investigation of Ionic Liquid Phases for Chromatographic Separation of Fentanyl Analogues
inferred← citeshttps://doi.org/10.1289/ehp.971051116openalex-snapshot
Quantitative Structure-Activity Relationships (QSARs) for Estrogen Binding to the Estrogen Receptor: Predictions across Species
inferred← citeshttps://doi.org/10.1365/s10337-006-0054-0openalex-snapshot
Estimation and Prediction of Relative Retention Indices of Polychlorinated Naphthalenes in GC with Molecular Electronegativity Distance Vector
inferred← citeshttps://doi.org/10.1365/s10337-007-0467-4openalex-snapshot
Prediction of GC Retention Times of Complex Petroleum Fractions Based on Quantitative Structure–Retention Relationships
inferred← citeshttps://doi.org/10.1515/ijcre-2014-0137openalex-snapshot
Production of Oil and Char by Intermediate Pyrolysis of Scrap Tyres: Influence on Yield and Product Characteristics
inferred← citeshttps://doi.org/10.2118/68231-msopenalex-snapshot
The Compositional Characterization of Gas Condensate Fluids - A Review Featuring the Impact of the Analysis Data Quality on the Accuracy of Equation of State Based PVT Predictions
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/catal8110502openalex-snapshot
Solvothermal Conversion of Lignosulfonate Assisted by Ni Catalyst: Investigation of the Role of Ethanol and Ethylene Glycol as Solvents
inferred← citeshttps://doi.org/10.4155/fmc.15.18openalex-snapshot
In Silico Prediction of hERG Inhibition
inferred← citeshttps://doi.org/10.5194/acp-3-1461-2003openalex-snapshot
GC×GC measurements of C 7 -C 11 aromatic and n-alkane hydrocarbons on Crete, in air from Eastern Europe during the MINOS campaign
inferred← citeshttps://doi.org/10.5194/acp-3-665-2003openalex-snapshot
Comprehensive two-dimensional gas chromatography (GC × GC) measurements of volatile organic compounds in the atmosphere
inferred← citeshttps://doi.org/10.5772/37798openalex-snapshot
Molecular Interactions in Chromatographic Retention: A Tool for QSRR/QSPR/QSAR Studies
inferred← citeshttps://doi.org/10.6060/ivkkt.20226505.6548openalex-snapshot
QUANTITATIVE ANALYSIS OF AMINOALCOHOLS AND POLYAMINES USING EFFECTIVE CARBON NUMBER
inferred← citeshttps://doi.org/10.62239/jca.2024.088openalex-snapshot
Prediction of FID response factor of pyrolysis bio-oil components by effective carbon number model
inferred← citeshttps://doi.org/10.70675/31f3e333z998ez41e9z9b81z39a6f75ffb91openalex-snapshot
Relation structure/réactivité en conversion hydrothermale des macromolécules de lignocellulose
inferred← citeshttps://doi.org/10.70675/b725b671z6064z4307z90dezd8ab99fbb950openalex-snapshot
Experimental study of the aromatics production from the pyrolysis of scrap tire rubber using heteropolyacids-based catalysts
inferred← citeshttps://doi.org/10.7939/r3bc3t292openalex-snapshot
Autoxidation of Oilsands Bitumen: Applied, Model Compounds and Microfluidic Study
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