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Evaluation in Quantitative Structure−Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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ChemInform Abstract: Predicting Physical Properties from Molecular Structure
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Computer generation of acyclic graphs based on local vertex invariants and topological indices. Derived canonical labelling and coding of trees and alkanes
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Chemical graphs with degenerate topological indices based on information on distances
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On the Harary index for the characterization of chemical graphs
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Design of topological indices. Part 4. Reciprocal distance matrix, related local vertex invariants and topological indices
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New vertex invariants and topological indices of chemical graphs based on information on distances
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Novel molecular descriptor for structure—property studies
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The microcomputer OASIS system for predicting the biological activity of chemical compounds
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A new development of the oasis computer system for modeling molecular properties
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Molecular Connectivity in Chemistry and Drug Research
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Quantitative structure-property relationship study of normal boiling points for halogen-/ oxygen-/ sulfur-containing organic compounds using the CODESSA program
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Using real numbers as vertex invariants for third-generation topological indexes
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Comparative study of molecular descriptors derived from the distance matrix
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Wiener matrix: Source of novel graph invariants
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Wiener Matrix Invariants
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Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs
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Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds
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On the Definition of the Hyper-Wiener Index for Cycle-Containing Structures
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Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing
inferredcites →https://doi.org/10.1021/ci950055yopenalex-snapshot
Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks
inferredcites →https://doi.org/10.1021/ci950134+openalex-snapshot
Walk Numbers eWM: Wiener-Type Numbers of Higher Rank
inferredcites →https://doi.org/10.1021/ci9501857openalex-snapshot
Wiener and Hyper-Wiener Numbers in a Single Matrix
inferredcites →https://doi.org/10.1021/ci950262yopenalex-snapshot
Computer Assisted Simulation of 13C Nuclear Magnetic Spectra of Monosaccharides
inferredcites →https://doi.org/10.1021/ci960120jopenalex-snapshot
Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes
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Cluj Matrix Invariants
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Design of Topological Indices. Part 10. Parameters Based on Electronegativity and Covalent Radius for the Computation of Molecular Graph Descriptors for Heteroatom-Containing Molecules
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/ci970117fopenalex-snapshot
Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure
inferredcites →https://doi.org/10.1021/ci980022topenalex-snapshot
QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water−Air Partition Coefficients
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/cr950202ropenalex-snapshot
Quantum-Chemical Descriptors in QSAR/QSPR Studies
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
Importance of nonbonded attraction in the stereochemistry of the SN2' reaction
inferredcites →https://doi.org/10.1021/ja01193a005openalex-snapshot
Structural Determination of Paraffin Boiling Points
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Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
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Correlation of Heats of Isomerization, and Differences in Heats of Vaporization of Isomers, Among the Paraffin Hydrocarbons
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An Electron Diffraction Investigation of Formic Acid Monomer
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Modeling the anticancer action of some retinoid compounds by making use of the OASIS method
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/10.1051/jcp/1992891735openalex-snapshot
Correlations using topological indices based on real graph invariants
inferredcites →https://doi.org/10.1080/10629369508233996openalex-snapshot
Local (Atomic) and Global (Molecular) Graph-Theoretical Descriptors
inferredcites →https://doi.org/10.1080/10629369708039125openalex-snapshot
Molecular Graph Matrices and Derived Structural Descriptors
inferredcites →https://doi.org/10.1201/9781482296945openalex-snapshot
Topological Indices and Related Descriptors in QSAR and QSPR
inferredcites →https://doi.org/10.1201/9781482296945-10openalex-snapshot
Vertex- and Edge-Weighted Molecular Graphs and Derived Structural Descriptors
inferredcites →https://doi.org/10.1201/9781482296945-11openalex-snapshot
Matrices and Structural Descriptors Computed from Molecular Graph Distances
inferredcites →https://doi.org/10.1201/9781482296945-8openalex-snapshot
Historical Development of Topological Indices
inferredcites →https://doi.org/10.1201/9781482296945-9openalex-snapshot
The Graph Description of Chemical Structures
inferredcites →https://doi.org/10.1246/bcsj.44.2332openalex-snapshot
Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons
inferredcites →https://doi.org/10.5860/choice.36-5691openalex-snapshot
Encyclopedia of computational chemistry

What points at this work

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

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Topological Indices
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Trends in information theory-based chemical structure codification
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A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point
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QSAR Comparative Study of Wiener Descriptors for Weighted Molecular Graphs
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Wiener Index Extension by Counting Even/Odd Graph Distances
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