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An index of electrotopological state for atoms in molecules

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

inferredcites →https://doi.org/10.1002/hlca.19760590213openalex-snapshot
Résonance Magnétique Nucléaire de 17O. Aldéhydes et cétones aliphatiques: additivité des effets de substitution et corrélation avec la 13C‐RMN
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Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity
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A novel approach to the use of graph theory in structure–activity relationship studies. Application to the qualitative evaluation of mutagenicity in a series of nonfused ring aromatic compounds
inferredcites →https://doi.org/10.1002/jps.2600700602openalex-snapshot
Derivation and Significance of Valence Molecular Connectivity
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1002/qsar.19870060103openalex-snapshot
Inclusion of Symmetry as a Shape Attribute in Kappa Index Analysis
inferredcites →https://doi.org/10.1002/qsar.19900090207openalex-snapshot
Determination of Topological Equivalence in Molecular Graphs from the Topological State
inferredcites →https://doi.org/10.1016/0040-4020(77)80383-9openalex-snapshot
A molecular connectivity study of electron density in alkanes
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/0223-5234(87)90065-1openalex-snapshot
QSAR in drug design and toxicology
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1021/ci00043a009openalex-snapshot
On molecular identification numbers
inferredcites →https://doi.org/10.1021/ci00054a008openalex-snapshot
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors
inferredcites →https://doi.org/10.1021/ja00268a010openalex-snapshot
A simple method for calculating atomic charge in molecules
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1023/a:1015952613760openalex-snapshot
An Electrotopological-State Index for Atoms in Molecules
inferredcites →https://doi.org/10.1039/jr9580004031openalex-snapshot
812. A simple MO–LCAO method for the calculation of charge distributions in saturated organic molecules

What points at this work

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

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The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure‐Property Modeling
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Modeling and Informatics in Drug Design
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Modeling and Informatics in Drug Design
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Molecular Concepts
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A Structure‐Information Approach to the Prediction of Biological Activities and Properties
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Comparison of Electrotopological State Indexes with Molecular Orbital Parameters: Inhibition of MAO by Hydrazides
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SD‐modelling and Prediction by WHIM Descriptors. Part 5. Theory Development and Chemical Meaning of WHIM Descriptors
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Quantitative structure–activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors
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Application of artificial neural networks for the prediction of sulfur polycyclic aromatic compounds retention indices
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The E-state in database analysis: the PCBs as an example
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Prediction of migration behaviour of flavonoids in capillary zone electrophoresis by means of topological indices
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QSAR approach to POPs screening for atmospheric persistence
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Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors
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Novel atom-type AI indices for QSPR studies of alcohols
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Application of novel atom-type AI topological indices to QSPR studies of alkanes
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Application of novel atom-type AI topological indices in the structure–property correlations
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Molecular graph center, a novel approach to locate the center of a molecule and a new centric index
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Overall connectivity — a next generation molecular connectivity
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Halogens in molecular structure-property relationships
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