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Composition as a method for data reduction: application to carbon-13 NMR chemical shifts

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What this work says

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

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C60 carbon cages
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Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9
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Structural selectivity of topological indexes in alkane series
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Graph theoretical ordering of structures as a basis for systematic searches for regularities in molecular data
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Prediction of Isomeric Differences in Paraffin Properties
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Resonance in C60 buckminsterfullerene
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Conjugation and aromaticity of corannulenes
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Aromaticity and conjugation
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Additivity rules in molecular thermodynamics
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Ground states of conjugated molecules. XI. Improved treatment of hydrocarbons
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Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes
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Structural Determination of Paraffin Boiling Points
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Influence of Neighbor Bonds on Additive Bond Properties in Paraffins
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Information theory, distance matrix, and molecular branching
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A Survey of Physical Theory
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Alkanes with multiple asymmetric centers: synthesis, identification, and 13C nuclear magnetic resonance spectra
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Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons
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Local aromatic properties of benzenoid hydrocarbons

What points at this work

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

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Bibliography
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Bibliography
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ChemInform Abstract: Composition as a Method for Data Reduction: Application to 13C NMR Chemical Shifts
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Computer‐assisted studies of structure–property relationships using graph invariants
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Towards an Information Theory of Complex Networks: Statistical Methods and Applications
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Information-Theoretic Methods in Chemical Graph Theory
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In search of structural invariants
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The nature of chemical structure
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Topological atomic indices and the electronic charges in alkanes
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Generalized molecular descriptors
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Mathematical chemistry illustrations: a personal view of less known results
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Prediction of 13C NMR chemical shift sum using topological indices: Role of recently introduced Balaban F and G indices
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Prediction of 13C NMR Chemical Shift Sum Using Topological Indices: Role of Recently Introduced Balaban F and G Indices
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Some aspects of mathematical chemistry of equilibrium and rate processes: steps towards a completely non-empirical computer design of syntheses
inferred← citeshttps://doi.org/10.1016/j.bmc.2003.12.017openalex-snapshot
QSAR Study on 13C NMR chemical shifts on carbinol carbon atoms
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Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor
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Equivalence of Mathematical Objects of Interest in Chemistry and Physics
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13C NMR chemical shift sum prediction for alkanes using neural networks
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A computer-based approach to describe the 13C NMR chemical shifts of alkanes by the generalized spectral moments of iterated line graphs
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On structural ordering and branching of acyclic saturated hydrocarbons
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Integration of Graph Theory and Quantum Chemistry for Structure-Activity Relationships
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Use of PI Index in Computer-Aided Designing of Bioactive Compounds
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Autobiographical Notes
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