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Use of the DIPPR Database for Development of QSPR Correlations: Normal Boiling Point

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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.690401011openalex-snapshot
New group contribution method for estimating properties of pure compounds
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Handbook of Chemical Property Estimation Methods
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Thermochemical kinetics
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Vapor-liquid Equilibria Using Unifac
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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
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CHEMTEXT
inferredcites →https://doi.org/10.1021/ci970029vopenalex-snapshot
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure−Property Relationship
inferredcites →https://doi.org/10.1021/ci9903206openalex-snapshot
Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
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Use of the DIPPR Database for Development of QSPR Correlations: Surface Tension
inferredcites →https://doi.org/10.1021/je0002336openalex-snapshot
Development of an Automated SMILES Pattern Matching Program To Facilitate the Prediction of Thermophysical Properties by Group Contribution Methods
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/10.1063/1.555927openalex-snapshot
Estimation of the Thermodynamic Properties of C-H-N-O-S-Halogen Compounds at 298.15 K
inferredcites →https://doi.org/10.1080/00986448708960487openalex-snapshot
ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS
inferredcites →https://doi.org/10.1088/0031-9112/19/12/023openalex-snapshot
Physical Properties of Molecular Crystals, Liquids and Glasses
inferredcites →https://doi.org/10.5860/choice.38-5036openalex-snapshot
The properties of gases and liquids

What points at this work

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

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Establishing Consistent van der Waals Volumes of Polyatomic Ions from Crystal Structures
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Prediction of Physicochemical Properties
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Rapid Evaluation of Prediction Methods with DIPPR’s Automated Property Prediction Package
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A new method for calculating normal boiling point of liquids
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Prediction of phase behaviors of acetic acid containing fluids
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Determination of the normal boiling point of chemical compounds using a quantitative structure–property relationship strategy: Application to a very large dataset
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Prediction of physical properties for molecular design of solvents
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Using the method of self-similar functions for estimating the normal boiling temperatures of homologous series
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Machine learning-quantitative structure property relationship (ML-QSPR) method for fuel physicochemical properties prediction of multiple fuel types
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Gibbs energy additivity approaches to QSPR in modeling of high pressure density and kinematic viscosity of FAME and biodiesel
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Gibbs energy additivity approaches to QSPR in modeling of high pressure dynamic viscosity of FAME and biodiesel
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A robust modeling approach to predict the surface tension of ionic liquids
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Publicly available models to predict normal boiling point of organic compounds
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Estimation of Pure-Component Properties of Biodiesel-Related Components: Fatty Acid Ethyl Esters
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Estimation of Physical Constants of Biodiesel-Related Fatty Acid Alkyl Esters: Normal Boiling Point, Critical Temperature, Critical Pressure, and Acentric Factor
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Proper Use of the DIPPR 801 Database for Creation of Models, Methods, and Processes
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A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point
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Artificial Intelligence in the Discovery and Design of Ionic Liquids for Thermal Energy Applications
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Physics-Informed Neural Networks with Group Contribution Methods
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Investigating the Unique Properties of Cuphea-Derived Biodiesel Fuel with the Advanced Distillation Curve Method
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Application of the COSMO−SAC−BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant Substances
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Estimation of Pure-Component Properties of Biodiesel-Related Components: Fatty Acid Methyl Esters, Fatty Acids, and Triglycerides
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Use of the DIPPR Database for Development of Quantitative Structure−Property Relationship Correlations: Heat Capacity of Solid Organic Compounds
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Corrected Values for Boiling Points and Enthalpies of Vaporization of Elements in Handbooks
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Quantitative Structure–Property Relationship Predictions of Critical Properties and Acentric Factors for Pure Compounds
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Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds
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Use of the DIPPR Database for the Development of QSPR Correlations: Solid Vapor Pressure and Heat of Sublimation of Organic Compounds
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Designing green chemicals by predicting vaporization properties using explainable graph attention networks
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Normal boiling points of pure molecular liquids: contributions of universal and specific interactions
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Factual data banks and their application to the synthesis and design of chemical processes and the development and testing of thermophysical property estimation methods
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Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks
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