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Topological indices for structure-activity correlations
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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/j.1538-7305.1948.tb00917.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1002/j.1538-7305.1948.tb01338.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1002/jcc.540020202openalex-snapshot
Isomer discrimination by topological information approach
inferredcites →https://doi.org/10.1002/jps.2600641214openalex-snapshot
Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia
inferredcites →https://doi.org/10.1002/jps.2600641216openalex-snapshot
Molecular Connectivity III: Relationship to Partition Coefficients
inferredcites →https://doi.org/10.1002/jps.2600650824openalex-snapshot
Molecular Connectivity V: Connectivity Series Concept Applied to Density
inferredcites →https://doi.org/10.1002/jps.2600670436openalex-snapshot
Structure-Activity Relationships of Anesthetic Ethers Using Molecular Connectivity
inferredcites →https://doi.org/10.1002/jps.2600680114openalex-snapshot
Molecular Connectivity Study of Halocarbon Anesthetics
inferredcites →https://doi.org/10.1002/jps.2600690143openalex-snapshot
Structure-activity analysis of Hydrazide Monoamine Oxidase inhibitors using Molecular Connectivity
inferredcites →https://doi.org/10.1002/jps.2600690731openalex-snapshot
Structure–activity relationships of benzohydroxamic acid inhibitors of ribonucleotide reductase
inferredcites →https://doi.org/10.1002/pssa.2210550120openalex-snapshot
A topological approach to crystal vacancy studies I. Model crystallites with a single vacancy
inferredcites →https://doi.org/10.1002/pssa.2210560227openalex-snapshot
A topological approach to crystal vacancy studies II. Model crystallites with two and three vacancies
inferredcites →https://doi.org/10.1002/qua.560170504openalex-snapshot
Topological characterization of cyclic structures
inferredcites →https://doi.org/10.1002/qua.560180206openalex-snapshot
Chemical graph theory: Modeling the thermodynamic properties of molecules
inferredcites →https://doi.org/10.1002/qua.560190107openalex-snapshot
The graph center concept for polycyclic graphs
inferredcites →https://doi.org/10.1002/qua.560190521openalex-snapshot
Algebraic characterization of bridged polycyclic compounds
inferredcites →https://doi.org/10.1007/bf00902003openalex-snapshot
Informationsgehalt chemischer Elemente
inferredcites →https://doi.org/10.1007/bf01520772openalex-snapshot
Zur Berechnung des Radius verzweigter Moleküle
inferredcites →https://doi.org/10.1007/bf02471752openalex-snapshot
Symmetry and information content of chemical structures
inferredcites →https://doi.org/10.1007/bf02476719openalex-snapshot
Life, information theory, probability, and physics
inferredcites →https://doi.org/10.1007/bf02476948openalex-snapshot
Entropy and the complexity of graphs: I. An index of the relative complexity of a graph
inferredcites →https://doi.org/10.1007/bf02477754openalex-snapshot
Topological information content and chemical reactions
inferredcites →https://doi.org/10.1007/bf02477836openalex-snapshot
A note on the information content of graphs
inferredcites →https://doi.org/10.1007/bf02477860openalex-snapshot
Life, information theory, and topology
inferredcites →https://doi.org/10.1016/0009-2614(72)85099-1openalex-snapshot
Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons
inferredcites →https://doi.org/10.1016/0009-2614(77)85296-2openalex-snapshot
Algebraic characterization of skeletal branching
inferredcites →https://doi.org/10.1016/0009-2614(79)87030-xopenalex-snapshot
On a graph theoretical basis for ordering of structures
inferredcites →https://doi.org/10.1016/0009-2614(82)80009-2openalex-snapshot
Highly discriminating distance-based topological index
inferredcites →https://doi.org/10.1016/0016-0032(56)90094-1openalex-snapshot
Science and information theory
inferredcites →https://doi.org/10.1016/0022-0248(80)90066-4openalex-snapshot
An approach to the topological modelling of crystal growth
inferredcites →https://doi.org/10.1016/0025-5564(78)90060-3openalex-snapshot
Topological information content of genetic molecules—I.
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/10.1016/s0021-9673(00)81252-2openalex-snapshot
Calculation of gas chromatographic retention indices of isoalkanes based on a topological approach
inferredcites →https://doi.org/10.1016/s0021-9673(00)85645-9openalex-snapshot
Application of topological indices to gas chromatographic data: caclculation of the retention indices of isomeric alkylbenzens
inferredcites →https://doi.org/10.1016/s0026-895x(25)11183-8openalex-snapshot
Molecular Connectivity and Structure-Activity Relationship of General Anesthetics
inferredcites →https://doi.org/10.1017/s0013091500032594openalex-snapshot
Inequalities relating to some Algebraic Means
inferredcites →https://doi.org/10.1021/c160046a010openalex-snapshot
Topological Index as a Sorting Device for Coding Chemical Structures
inferredcites →https://doi.org/10.1021/ci60014a014openalex-snapshot
Fragment Search in Acyclic Structures
inferredcites →https://doi.org/10.1021/ci60017a009openalex-snapshot
Graph Theoretical Approach to Recognition of Structural Similarity in Molecules
inferredcites →https://doi.org/10.1021/ci60021a010openalex-snapshot
A Procedure for Characterization of the Rings of a Molecule
inferredcites →https://doi.org/10.1021/ci60022a011openalex-snapshot
Generalization of the Graph Center Concept, and Derived Topological Centric Indexes
inferredcites →https://doi.org/10.1021/ja00402a071openalex-snapshot
The first general index of molecular complexity
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja01203a022openalex-snapshot
Correlation of Heats of Isomerization, and Differences in Heats of Vaporization of Isomers, Among the Paraffin Hydrocarbons
inferredcites →https://doi.org/10.1021/jm00246a025openalex-snapshot
Molecular connectivity. 4. Relations to biological activities
inferredcites →https://doi.org/10.1063/1.1680839openalex-snapshot
On the recognition of identical graphs representing molecular topology
inferredcites →https://doi.org/10.1063/1.1746554openalex-snapshot
Influence of Neighbor Bonds on Additive Bond Properties in Paraffins
inferredcites →https://doi.org/10.1063/1.1747980openalex-snapshot
The Central Force Model for Additive Molecular Properties
inferredcites →https://doi.org/10.1063/1.430994openalex-snapshot
Graph theory and molecular orbitals. XII. Acyclic polyenes
inferredcites →https://doi.org/10.1063/1.434593openalex-snapshot
Information theory, distance matrix, and molecular branching
inferredcites →https://doi.org/10.1073/pnas.78.2.692openalex-snapshot
Enumeration of structure-sensitive graphical subsets: Theory
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/10.1246/bcsj.45.3415openalex-snapshot
Topological Index and Thermodynamic Properties. I. Empirical Rules on the Boiling Point of Saturated Hydrocarbons
inferredcites →https://doi.org/10.1515/zna-1980-0713openalex-snapshot
A Topological Approach to the Calculation of the n-Electron Energy and Energy Gap of Infinite Conjugated Polymers a
inferredcites →https://doi.org/10.1515/zna-1981-0618openalex-snapshot
A Topological Approach to the Predicting of the Electron Energy Characteristics of Conjugated Infinite Polymers. II. PPP-Calculations
inferredcites →https://doi.org/10.1515/zpch-1980-26150openalex-snapshot
Eine Bemerkung zu dem Randicschen „Molekularen Bindungs- Index (Molecular Connectivity Index)”
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/(sici)1096-987x(19970130)18:2<182::aid-jcc4>3.0.co;2-ropenalex-snapshot
QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1996)60:8<1851::aid-qua13>3.0.co;2-2openalex-snapshot
Bond profiles for cuboctahedron and twist cuboctahedron
inferred← citeshttps://doi.org/10.1002/9780470027318.a1918openalex-snapshot
Quantitative Structure–Activity Relationships and Computational Methods in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470027318.a1918.pub2openalex-snapshot
Quantitative Structure–Activity Relationships and Computational Methods in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470027318.a1918.pub3openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527645121.ch4openalex-snapshot
Multivariate Analysis of Molecular Descriptors
inferred← citeshttps://doi.org/10.1002/etc.5620151113openalex-snapshot
QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS FOR POLYCHLORINATED HYDROXYBIPHENYL ESTROGEN RECEPTOR BINDING AFFINITY: AN ASSESSMENT OF CONFORMER FLEXIBILITY
inferred← citeshttps://doi.org/10.1002/etc.5620170103openalex-snapshot
THE ROLE OF LIGAND FLEXIBILITY IN PREDICTING BIOLOGICAL ACTIVITY: STRUCTURE–ACTIVITY RELATIONSHIPS FOR ARYL HYDROCARBON, ESTROGEN, AND ANDROGEN RECEPTOR BINDING AFFINITY
inferred← citeshttps://doi.org/10.1002/etc.5620170611openalex-snapshot
A COMPARATIVE STUDY OF MOLECULAR SIMILARITY, STATISTICAL, AND NEURAL METHODS FOR PREDICTING TOXIC MODES OF ACTION
inferred← citeshttps://doi.org/10.1002/jcc.540060613openalex-snapshot
Determination of the Wiener molecular branching index for the general tree
inferred← citeshttps://doi.org/10.1002/jcc.540080209openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.540090307openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.540110802openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.540120502openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.540120702openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jccs.200600103openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/med.2610110104openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/minf.201400014openalex-snapshot
Network Analysis of Publications on Topological Indices from the Web of Science
inferred← citeshttps://doi.org/10.1002/mma.6668openalex-snapshot
Distance‐based topological descriptors for measuring the π ‐electronic energy of benzenoid hydrocarbons with applications to carbon nanotubes
inferred← citeshttps://doi.org/10.1002/mma.7161openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/mrc.1260290413openalex-snapshot
Computer‐assisted studies of structure–property relationships using graph invariants
inferred← citeshttps://doi.org/10.1002/qsar.19860050403openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.19880070405openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.19910100207openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.19910100406openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.21223openalex-snapshot
Upper bounds for the Zagreb indices and the spectral radius of series‐parallel graphs
inferred← citeshttps://doi.org/10.1002/qua.26333openalex-snapshot
Bounds on the Zagreb indices for molecular (n,m)‐graphs
inferred← citeshttps://doi.org/10.1002/qua.26796openalex-snapshot
Wiener polarity and similar topological descriptors of some product graphs
inferred← citeshttps://doi.org/10.1002/qua.26829openalex-snapshot
Gourava descriptors of multi‐dimensional flat and stable tri‐hexagonal boron nanotubes
inferred← citeshttps://doi.org/10.1002/qua.26847openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.560280713openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.560280813openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.560300718openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.560340724openalex-snapshot
A rational selection of graph-theoretical indices in the QSAR
inferred← citeshttps://doi.org/10.1002/qua.560400726openalex-snapshot
Dimensional response of the integrated molecular transform
inferred← citeshttps://doi.org/10.1002/qua.560440835openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.560460505openalex-snapshot
Self‐returning walks and fractional electronic charges of atoms in molecules
inferred← citeshttps://doi.org/10.1006/jmaa.2000.7243openalex-snapshot
Application of Graph Theory: Relationship of Eccentric Connectivity Index and Wiener's Index with Anti-inflammatory Activity
inferred← citeshttps://doi.org/10.1007/0-306-46907-3_6openalex-snapshot
On Characterization of 3D Molecular Structure
inferred← citeshttps://doi.org/10.1007/3-540-15983-5_6openalex-snapshot
Symbolic computation and chemistry
inferred← citeshttps://doi.org/10.1007/978-1-4757-3273-3_2openalex-snapshot
Some Relationships between Molecular Energy-Topology and Symmetry
inferred← citeshttps://doi.org/10.1007/978-3-031-78736-2_11openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-540-30463-0_78openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-642-33469-6_2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-642-74140-1_21openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-94-009-3937-0_24openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-94-011-1202-4_1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-94-011-1202-4_8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf00481197openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf00526287openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf00649532openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01164196openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01164200openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01164452openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01164464openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01164642openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01166274openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01166300openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01166950openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01169597openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf01599733openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bf02490462openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bfb0018561openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/bfb0111462openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00114-009-0536-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00204-019-02580-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00373-012-1258-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00894-005-0276-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10114-019-8439-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10440-009-9467-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10440-009-9534-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-005-9010-6openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10878-010-9288-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10878-019-00391-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10878-025-01328-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-005-9036-yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-006-9132-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-008-9417-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-008-9475-3openalex-snapshot
New upper bounds on Zagreb indices
inferred← citeshttps://doi.org/10.1007/s10910-008-9515-zopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-015-0480-zopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-018-0956-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10953-005-5190-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10953-011-9743-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10955-019-02412-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10955-022-02955-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11009-021-09895-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11696-026-05101-zopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s12044-013-0126-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s12190-008-0162-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s12190-018-1177-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s12190-024-02260-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s12633-024-03119-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0003-2670(92)80128-topenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0009-2614(90)85292-kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0021-9673(93)80333-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0040-6031(92)80028-uopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0045-6535(89)90495-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0045-6535(89)90510-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0097-8485(90)80004-lopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0097-8485(90)80046-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0097-8485(91)80023-fopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0097-8485(94)85009-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0147-6513(88)90087-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(88)87023-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(89)85005-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(89)85011-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(89)85013-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(91)85245-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/0166-1280(93)80012-oopenalex-snapshot
Topological/chemical distances and graph centers in molecular graphs with multiple bonds
inferred← citeshttps://doi.org/10.1016/0166-1280(93)87005-xopenalex-snapshot
Viewpoint 4 — Comparative structure-property studies: the connectivity basis
inferred← citeshttps://doi.org/10.1016/0166-218x(88)90017-0openalex-snapshot
On some counting polynomials in chemistry
inferred← citeshttps://doi.org/10.1016/0166-218x(88)90022-4openalex-snapshot
The challenge of characterizing branching in molecular species
inferred← citeshttps://doi.org/10.1016/0166-445x(89)90054-4openalex-snapshot
Quantitative structure-activity relationships of acute toxicity of commercial chemicals on fathead minnows: effect of molecular size
inferred← citeshttps://doi.org/10.1016/0223-5234(91)90063-sopenalex-snapshot
Modelling the interaction of small organic molecules with biomacromolecules IV. The in vivo interaction of substituted purines with murine tumor adenocarcinoma CA 755
inferred← citeshttps://doi.org/10.1016/1059-1311(92)90032-vopenalex-snapshot
Applications of molecular physics ‘biotechnology’ to the rational design of an improved phenytoin analogue
inferred← citeshttps://doi.org/10.1016/b978-1-68108-198-4.50008-4openalex-snapshot
Basic Concepts and Applications of Molecular Topology to Drug Design
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50007-xopenalex-snapshot
Mathematical and Chemical Analysis of Wiener's Polarity Number
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50009-3openalex-snapshot
A Comparison Between Various Topological Indices, Particularly Between the Index J and Wiener's Index W
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50010-xopenalex-snapshot
Applications of Topological Indices in the Property/Bioactivity/Toxicity Prediction of Chemicals
inferred← citeshttps://doi.org/10.1016/j.akcej.2018.05.002openalex-snapshot
Beyond the Zagreb indices
inferred← citeshttps://doi.org/10.1016/j.amc.2016.01.017openalex-snapshot
On extremal Zagreb indices of trees with given domination number
inferred← citeshttps://doi.org/10.1016/j.amc.2018.09.057openalex-snapshot
Nordhaus–Gaddum type results for graph irregularities
inferred← citeshttps://doi.org/10.1016/j.amc.2020.125187openalex-snapshot
Computation on the difference of Zagreb indices of maximal planar graphs with diameter two
inferred← citeshttps://doi.org/10.1016/j.aml.2009.08.015openalex-snapshot
On the maximum and minimum Zagreb indices of graphs with connectivity at most k
inferred← citeshttps://doi.org/10.1016/j.aml.2010.08.032openalex-snapshot
Sharp upper bounds for Zagreb indices of bipartite graphs with a given diameter
inferred← citeshttps://doi.org/10.1016/j.aml.2011.01.034openalex-snapshot
The Zagreb indices of graphs with a given clique number
inferred← citeshttps://doi.org/10.1016/j.apm.2018.03.016openalex-snapshot
Valency-based topological descriptors of chemical networks and their applications
inferred← citeshttps://doi.org/10.1016/j.arabjc.2021.102994openalex-snapshot
Quality testing of spectrum-based distance descriptors for polycyclic aromatic hydrocarbons with applications to carbon nanotubes and nanocones
inferred← citeshttps://doi.org/10.1016/j.arabjc.2021.103469openalex-snapshot
Analyzing the expressions for nanostructures via topological indices
inferred← citeshttps://doi.org/10.1016/j.arabjc.2021.103509openalex-snapshot
Computing and comparative analysis of topological invariants of symmetrical carbon nanotube Y junctions
inferred← citeshttps://doi.org/10.1016/j.asej.2023.102586openalex-snapshot
Structure-property modeling for thermodynamic properties of benzenoid hydrocarbons by temperature-based topological indices
inferred← citeshttps://doi.org/10.1016/j.bmcl.2005.08.011openalex-snapshot
Topological model for the prediction of MRP1 inhibitory activity of pyrrolopyrimidines and templates derived from pyrrolopyrimidine
inferred← citeshttps://doi.org/10.1016/j.chroma.2003.08.037openalex-snapshot
Use of topological indices of polychlorinated biphenyls in structure–retention relationships
inferred← citeshttps://doi.org/10.1016/j.comgeo.2009.12.001openalex-snapshot
Embeddability of open-ended carbon nanotubes in hypercubes
inferred← citeshttps://doi.org/10.1016/j.commatsci.2023.112492openalex-snapshot
Distance-based graphical indices for predicting thermodynamic properties of benzenoid hydrocarbons with applications
inferred← citeshttps://doi.org/10.1016/j.commatsci.2024.112944openalex-snapshot
Predictive potential of eigenvalues-based graphical indices for determining thermodynamic properties of polycyclic aromatic hydrocarbons with applications to polyacenes
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.04.039openalex-snapshot
Distance numbers and Wiener indices of IPR fullerenes with formula C10(n-2) (n ≥ 8) in analytical forms
inferred← citeshttps://doi.org/10.1016/j.dam.2007.11.010openalex-snapshot
None of the coronoid systems can be isometrically embedded into a hypercube
inferred← citeshttps://doi.org/10.1016/j.dam.2008.10.007openalex-snapshot
Comparing the Zagreb indices for graphs with small difference between the maximum and minimum degrees
inferred← citeshttps://doi.org/10.1016/j.dam.2010.08.005openalex-snapshot
Sharp bounds for the Zagreb indices of bicyclic graphs with k -pendant vertices
inferred← citeshttps://doi.org/10.1016/j.dam.2011.01.002openalex-snapshot
On the Zagreb index inequality of graphs with prescribed vertex degrees
inferred← citeshttps://doi.org/10.1016/j.dam.2011.10.003openalex-snapshot
On the Zagreb indices equality
inferred← citeshttps://doi.org/10.1016/j.dam.2014.06.011openalex-snapshot
On difference of Zagreb indices
inferred← citeshttps://doi.org/10.1016/j.dam.2014.12.015openalex-snapshot
The second Zagreb indices of graphs with given degree sequences
inferred← citeshttps://doi.org/10.1016/j.dam.2016.07.008openalex-snapshot
Complete characterization of graphs for direct comparing Zagreb indices
inferred← citeshttps://doi.org/10.1016/j.dam.2019.08.014openalex-snapshot
Sharp bounds on the reduced second Zagreb index of graphs with given number of cut vertices
inferred← citeshttps://doi.org/10.1016/j.dam.2023.11.033openalex-snapshot
Lower bounds on the general first Zagreb index of graphs with low cyclomatic number
inferred← citeshttps://doi.org/10.1016/j.ddtec.2013.05.001openalex-snapshot
Molecular topology – dissimilar similarities
inferred← citeshttps://doi.org/10.1016/j.jksus.2024.103541openalex-snapshot
Optimizing structure-property models of three general graphical indices for thermodynamic properties of benzenoid hydrocarbons
inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.11.005openalex-snapshot
Topological models for the prediction of HIV-protease inhibitory activity of tetrahydropyrimidin-2-ones
inferred← citeshttps://doi.org/10.1016/j.mcm.2011.07.007openalex-snapshot
Sharp upper bounds on Zagreb indices of bicyclic graphs with a given matching number
inferred← citeshttps://doi.org/10.1016/j.molliq.2013.10.010openalex-snapshot
Topological investigations of excess heat capacities of binary liquid mixtures containing lactams and cycloalkanone
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.128927openalex-snapshot
Quality testing of distance-based molecular descriptors for benzenoid hydrocarbons
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.129789openalex-snapshot
Quality testing of spectrum-based valency descriptors for polycyclic aromatic hydrocarbons with applications
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)00962-4openalex-snapshot
A QSERR study on enantioselective separation of enantiomeric sulphoxides
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)84157-4openalex-snapshot
An exact quantitative structure/gas-chromatographic retention relationship for alkylbenzenes
inferred← citeshttps://doi.org/10.1016/s0021-9673(01)00944-xopenalex-snapshot
Chromatographic separation of tocopherols
inferred← citeshttps://doi.org/10.1016/s0022-247x(02)00373-6openalex-snapshot
Eccentric distance sum: A novel graph invariant for predicting biological and physical properties
inferred← citeshttps://doi.org/10.1016/s0032-3861(01)00589-4openalex-snapshot
Long chain branch polymer chain dimensions: application of topology to the Zimm–Stockmayer model
inferred← citeshttps://doi.org/10.1016/s0065-3276(08)60103-3openalex-snapshot
Equivalence of Mathematical Objects of Interest in Chemistry and Physics
inferred← citeshttps://doi.org/10.1016/s0097-8485(97)00043-0openalex-snapshot
TAM: a program for the calculation of topological indices in QSPR and QSAR studies
inferred← citeshttps://doi.org/10.1016/s0097-8485(98)00025-4openalex-snapshot
A simple formula for the calculation of of the wiener index of hexagonal chains
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00737-6openalex-snapshot
Relationship of Wiener's index and adjacent eccentric distance sum index with nitroxide free radicals and their precursors as modifiers against oxidative damage
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00781-9openalex-snapshot
The concept of skewness of alternant hydrocarbons
inferred← citeshttps://doi.org/10.1016/s0166-1280(03)00425-1openalex-snapshot
Topological models for prediction of antihypertensive activity of substituted benzylimidazoles
inferred← citeshttps://doi.org/10.1016/s0166-1280(97)00151-6openalex-snapshot
3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes
inferred← citeshttps://doi.org/10.1016/s1059-1311(05)80001-9openalex-snapshot
A computational quantitative structure-activity relationship study of carbamate anticonvulsants using quantum pharmacological methods
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00027-9openalex-snapshot
Connective eccentricity index: a novel topological descriptor for predicting biological activity
inferred← citeshttps://doi.org/10.1017/s0004972715000386openalex-snapshot
SOME RESULTS ON THE DIFFERENCE OF THE ZAGREB INDICES OF A GRAPH
inferred← citeshttps://doi.org/10.1017/s0317167100003759openalex-snapshot
A Mathematical Model for Prediction of Drug Molecule Diffusion Across the Blood-Brain Barrier
inferred← citeshttps://doi.org/10.1021/ci00024a009openalex-snapshot
Bond Contributions to the Wiener Index
inferred← citeshttps://doi.org/10.1021/ci00025a001openalex-snapshot
Chemical Graphs: Looking Back and Glimpsing Ahead
inferred← citeshttps://doi.org/10.1021/ci0100604openalex-snapshot
Spectral Moments of Polycyclic Aromatic Hydrocarbons. Solution of a Kinetic Problem
inferred← citeshttps://doi.org/10.1021/ci025542+openalex-snapshot
QCODES − Fast Topological Descriptors for Macromolecules
inferred← citeshttps://doi.org/10.1021/ci600343xopenalex-snapshot
ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
inferred← citeshttps://doi.org/10.1021/ci960104mopenalex-snapshot
Determination of Topo-Geometrical Equivalence Classes of Atoms
inferred← citeshttps://doi.org/10.1023/a:1011964003474openalex-snapshot
Predicting anti-HIV activity: computational approach using a novel topological descriptor
inferred← citeshttps://doi.org/10.1023/a:1021904803057openalex-snapshot
Predicting anticonvulsant activity of benzamides/benzylamines: computational approach using topological descriptors
inferred← citeshttps://doi.org/10.1023/a:1023490623950openalex-snapshot
Prediction of Critical Temperatures and Critical Pressures of Some Industrially Relevant Organic Substances from Rather Simple Topological Descriptors
inferred← citeshttps://doi.org/10.1038/s41598-023-28416-3openalex-snapshot
Curvilinear regression analysis of benzenoid hydrocarbons and computation of some reduced reverse degree based topological indices for hyaluronic acid-paclitaxel conjugates
inferred← citeshttps://doi.org/10.1038/s41598-024-72877-zopenalex-snapshot
Predictive potential of distance-related spectral graphical descriptors for structure-property modeling of thermodynamic properties of polycyclic hydrocarbons with applications
inferred← citeshttps://doi.org/10.1038/s41598-025-29696-7openalex-snapshot
Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties
inferred← citeshttps://doi.org/10.1063/1.451125openalex-snapshot
The fractal nature, graph invariants, and physicochemical properties of normal alkanes
inferred← citeshttps://doi.org/10.1063/5.0268964openalex-snapshot
Normalized topological indices discriminate between architectures of branched macromolecules
inferred← citeshttps://doi.org/10.1080/00268970500134714openalex-snapshot
Wiener and Hosoya indices of reciprocal graphs
inferred← citeshttps://doi.org/10.1080/00268970802575564openalex-snapshot
Algorithms to calculate the distance numbers and the Wiener indices of linear and cylindrical poly ( p -phenylene) in terms of number of hexagonal rings
inferred← citeshttps://doi.org/10.1080/00268976.2014.901571openalex-snapshot
Cardinalities of poly(p-phenylene) graphs
inferred← citeshttps://doi.org/10.1080/02522667.2021.1903202openalex-snapshot
Base polynomials for degree and distance based topological invariants of n-bilinear straight pentachain
inferred← citeshttps://doi.org/10.1080/09728600.2024.2437774openalex-snapshot
On the vv-degree based first Zagreb index of graphs
inferred← citeshttps://doi.org/10.1080/10406638.2020.1768414openalex-snapshot
Valency-Based Molecular Descriptors for Measuring the π-Electronic Energy of Lower Polycyclic Aromatic Hydrocarbons
inferred← citeshttps://doi.org/10.1080/10426507.2026.2734159openalex-snapshot
Oxide and silicate networks: computation and analysis of face neighborhood index
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