Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

Applied Regression Analysis

2005 • 18,630 citations

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

1985 • 12,977 citations

Optimization of parameters for semiempirical methods I. Method

1989 • 7,513 citations

Structural Determination of Paraffin Boiling Points

1947 • 3,851 citations

Characterization of molecular branching

1975 • 3,429 citations

ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS

1987 • 1,774 citations

Molecular Connectivity in Chemistry and Drug Research

1976 • 1,666 citations

Applied Regression Analysis.

1967 • 1,561 citations

Handbook of chemical property estimation methods

1982 • 886 citations

Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties

1958 • 717 citations

Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies

1990 • 633 citations

Handbook of Chemical Property Estimation Methods

1983 • 583 citations

Molecular modeling of the physical properties of alkanes

1988 • 321 citations

Estimation of normal boiling points from group contributions

1994 • 312 citations

Resolution of ambiguities in structure-property studies by use of orthogonal descriptors

1991 • 227 citations

Descriptions of molecular shape applied in studies of structure/activity and structure/property relationships

1987 • 225 citations

Prediction of Gas Chromatographic Retention Times and Response Factors Using a General Qualitative Structure-Property Relationships Treatment

1994 • 196 citations

Topological Indices in Organic Chemistry

1988 • 138 citations

BC(DEF) parameters. 1. The intrinsic dimensionality of intermolecular interactions in the liquid state

1980 • 117 citations

Computer-assisted prediction of normal boiling points of pyrans and pyrroles

1992 • 113 citations

Correction. BC(DEF) Parameters. 1. The Intrinsic Dimensionality of Intermolecular Interactions in the Liquid State

1981 • 101 citations

Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure

1994 • 98 citations

Molecular Design - Chemical Structure Generation from the Properties of Pure Organic Compounds

1992 • 81 citations

Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques

1993 • 59 citations

Physical Property Prediction in Organic Chemistry

1988 • 59 citations

A structural approach to calculate physical properties of pure organic substances: The critical temperature, critical volume and related properties

1990 • 53 citations

Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4

1992 • 49 citations

Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs

1992 • 49 citations

Note: Correlation of flash points

1991 • 48 citations

Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes

1991 • 46 citations

The physical meaning of topological indices

1991 • 45 citations

Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure

1995 • 44 citations

Solubility properties in polymers and biological mediums. 3. Predictional methods for critical temperatures, boiling points, and solubility properties (RG values) based on molecular size, polarizability, and dipolarity

1984 • 23 citations

QSPR and GCA Models for Predicting the Normal Boiling Points of Fluorocarbons

1995 • 20 citations

Molecular Shape as a Critical Factor in Structure-Property-Activity Studies

1993 • 15 citations

XXII.—The boiling points of homologous compounds. Part I. Simple and mixed ethers

1894 • 13 citations

Deleted Work

1955 • 0 citations