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Chemical Graphs: Looking Back and Glimpsing Ahead
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Ligand Reorganization in the Trigonal Bipyramid
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The Conservation of Orbital Symmetry
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Aromaticity and Pericyclic Reactions
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The Variety of Thermal Pericyclic Reactions
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Graph theoretical characterization and computer generation of certain carcinogenic benzenoid hydrocarbons and identification of bay regions
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Graph theoretical classification and coding of chemical reactions with a linear mechanism
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Discrimination of isomeric structures using information theoretic topological indices
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Computer program for finding all possible cycles in graphs
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Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). I. Algorithms for finding graph orbits and canonical numbering of atoms
inferredcites →https://doi.org/10.1002/jcc.540060607openalex-snapshot
Unique description of chemical structures on hierarchically ordered extended connectivities (HOC procedures). II. Mathematical proofs for the HOC algorithm
inferredcites →https://doi.org/10.1002/jcc.540060611openalex-snapshot
Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). VIII. General principles for computer implementation
inferredcites →https://doi.org/10.1002/jcc.540140204openalex-snapshot
Search for nondegenerate real vertex invariants and derived topological indexes
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A second trivalent graph with 58 vertices and girth 9
inferredcites →https://doi.org/10.1002/jps.2600650824openalex-snapshot
Molecular Connectivity V: Connectivity Series Concept Applied to Density
inferredcites →https://doi.org/10.1002/qua.560190107openalex-snapshot
The graph center concept for polycyclic graphs
inferredcites →https://doi.org/10.1007/3-540-15983-5_6openalex-snapshot
Symbolic computation and chemistry
inferredcites →https://doi.org/10.1007/978-94-011-1202-4openalex-snapshot
Graph Theoretical Approaches to Chemical Reactivity
inferredcites →https://doi.org/10.1007/bf00551119openalex-snapshot
Spectral analysis of graphs by cyclic automorphism subgroups
inferredcites →https://doi.org/10.1007/bf01164196openalex-snapshot
Computer generation of acyclic graphs based on local vertex invariants and topological indices. Derived canonical labelling and coding of trees and alkanes
inferredcites →https://doi.org/10.1007/bf01164472openalex-snapshot
Central vertices versus central rings in polycyclic systems
inferredcites →https://doi.org/10.1007/bf01164638openalex-snapshot
On the Harary index for the characterization of chemical graphs
inferredcites →https://doi.org/10.1007/bf01164856openalex-snapshot
Details of the reaction graphs for intramolecular isomerizations of the carboranes
inferredcites →https://doi.org/10.1007/bf01166300openalex-snapshot
Topological indices for molecular fragments and new graph invariants
inferredcites →https://doi.org/10.1007/bf01166951openalex-snapshot
New vertex invariants and topological indices of chemical graphs based on information on distances
inferredcites →https://doi.org/10.1007/bf01205338openalex-snapshot
A new approach for devising local graph invariants: Derived topological indices with low degeneracy and good correlation ability
inferredcites →https://doi.org/10.1007/bf01277572openalex-snapshot
The reaction graph of the Cope rearrangement in bullvalene
inferredcites →https://doi.org/10.1007/bfb0111212openalex-snapshot
Topological indices for structure-activity correlations
inferredcites →https://doi.org/10.1016/0009-2614(82)80009-2openalex-snapshot
Highly discriminating distance-based topological index
inferredcites →https://doi.org/10.1016/0009-2614(93)e1379-uopenalex-snapshot
Diamond-graphite hybrids
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A trivalent graph with 58 vertices and girth 9
inferredcites →https://doi.org/10.1016/0040-4020(76)80049-xopenalex-snapshot
The numbers of chiral and achiral alkanes and monosubstituted alkanes
inferredcites →https://doi.org/10.1016/0040-4020(78)88437-3openalex-snapshot
Systematic classification and nomenclature of diamond hydrocarbons—I
inferredcites →https://doi.org/10.1016/0095-8956(72)90028-7openalex-snapshot
A trivalent graph of girth ten
inferredcites →https://doi.org/10.1016/0166-1280(88)87023-4openalex-snapshot
Topological indices and their uses: A new approach for the coding of alkanes
inferredcites →https://doi.org/10.1016/0166-1280(89)85010-9openalex-snapshot
Modes of rearrangements and reaction graphs for XeF6
inferredcites →https://doi.org/10.1016/0166-1280(93)80012-oopenalex-snapshot
Topological/chemical distances and graph centers in molecular graphs with multiple bonds
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Molecular Connectivity in Chemistry and Drug Research
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Boiling point relations in the halogenated ethane series
inferredcites →https://doi.org/10.1016/s0040-4020(01)93464-7openalex-snapshot
Heterocyclic organoboron compounds—XVI
inferredcites →https://doi.org/10.1016/s0167-5060(08)70380-7openalex-snapshot
Solved and Unsolved Problems in Chemical Graph Theory
inferredcites →https://doi.org/10.1017/s144678870000639xopenalex-snapshot
Cubic identity graphs and planar graphs derived from trees
inferredcites →https://doi.org/10.1021/ar50034a001openalex-snapshot
Role of pseudorotation in the stereochemistry of nucleophilic displacement reactions
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The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
inferredcites →https://doi.org/10.1021/c160043a020openalex-snapshot
The Characteristic Polyomial Does Not Uniquely Determine the Topology of a Molecule
inferredcites →https://doi.org/10.1021/ci00005a004openalex-snapshot
Using real numbers as vertex invariants for third-generation topological indexes
inferredcites →https://doi.org/10.1021/ci00007a010openalex-snapshot
Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4
inferredcites →https://doi.org/10.1021/ci00007a011openalex-snapshot
Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs
inferredcites →https://doi.org/10.1021/ci00015a002openalex-snapshot
Ring perception. A new algorithm for directly finding the smallest set of smallest rings from a connection table
inferredcites →https://doi.org/10.1021/ci00016a005openalex-snapshot
Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research
inferredcites →https://doi.org/10.1021/ci00021a016openalex-snapshot
Correlation between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural Networks
inferredcites →https://doi.org/10.1021/ci00021a025openalex-snapshot
Bullvalene: Reaction Graphs Relating Polysubstituted Positional Isomers
inferredcites →https://doi.org/10.1021/ci00025a020openalex-snapshot
Nomenclature and Coding of Fullerenes
inferredcites →https://doi.org/10.1021/ci00032a009openalex-snapshot
Topological centric coding and nomenclature of polycyclic hydrocarbons. 1. Condensed benzenoid systems (polyhexes, fusenes)
inferredcites →https://doi.org/10.1021/ci00039a006openalex-snapshot
A new system for the designation of chemical compounds. 1. Theoretical preliminaries and the coding of acyclic compounds
inferredcites →https://doi.org/10.1021/ci00045a006openalex-snapshot
Structural selectivity of topological indexes in alkane series
inferredcites →https://doi.org/10.1021/ci00046a014openalex-snapshot
A new system for the designation of chemical compounds. 2. Coding of cyclic compounds
inferredcites →https://doi.org/10.1021/ci00047a001openalex-snapshot
The Journal for Chemical Information and Computer scientists: a 25-year perspective
inferredcites →https://doi.org/10.1021/ci00047a005openalex-snapshot
Abstracts and other information filters
inferredcites →https://doi.org/10.1021/ci00047a007openalex-snapshot
History of citation indexes for chemistry: a brief review
inferredcites →https://doi.org/10.1021/ci00047a008openalex-snapshot
Peculiarities of chemical information from a theoretical viewpoint
inferredcites →https://doi.org/10.1021/ci00047a010openalex-snapshot
Chemical Abstracts Service's secondary chemical information services
inferredcites →https://doi.org/10.1021/ci00047a018openalex-snapshot
Chemical and spectral databases: a look into the future
inferredcites →https://doi.org/10.1021/ci00047a023openalex-snapshot
Historic development of chemical notations
inferredcites →https://doi.org/10.1021/ci00047a024openalex-snapshot
Generic structure storage and retrieval
inferredcites →https://doi.org/10.1021/ci00047a032openalex-snapshot
DARC system for documentation and artificial intelligence in chemistry
inferredcites →https://doi.org/10.1021/ci00047a033openalex-snapshot
Applications of graph theory in chemistry
inferredcites →https://doi.org/10.1021/ci00062a007openalex-snapshot
Iterative procedure for the generalized graph center in polycyclic graphs
inferredcites →https://doi.org/10.1021/ci00063a007openalex-snapshot
Review of ring perception algorithms for chemical graphs
inferredcites →https://doi.org/10.1021/ci00066a002openalex-snapshot
Enhanced algorithm for finding the smallest set of smallest rings
inferredcites →https://doi.org/10.1021/ed052p768openalex-snapshot
Some reflections on the topological structure of covalent molecules
inferredcites →https://doi.org/10.1021/ed061p766openalex-snapshot
Schemes and transformations in the (CH)2k series: Valence isomers of [8]- and [10]annulene
inferredcites →https://doi.org/10.1021/ed065p304openalex-snapshot
The number of alkanes having n carbons and a longest chain of length d: An application of a theorem of Polya
inferredcites →https://doi.org/10.1021/ed069p544openalex-snapshot
Application of graph theory to chemical kinetics: Part 1. Kinetics of complex reactions
inferredcites →https://doi.org/10.1021/ed072p693openalex-snapshot
W. R. Hamilton: His Genius, His Circuits, and the IUPAC Nomenclature for Fulleranes
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja00239a018openalex-snapshot
Isomerization of the carboranes C2B6H8, C2B8H10, and C2B9H11 by the diamond-square-diamond rearrangement
inferredcites →https://doi.org/10.1021/ja00256a031openalex-snapshot
3,4-Connected carbon nets: through-space and through-bond interactions in the solid state
inferredcites →https://doi.org/10.1021/ja00822a021openalex-snapshot
Stereochemically unique naming algorithm
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja01026a029openalex-snapshot
Pseudorotation in trigonal-bipyramidal molecules
inferredcites →https://doi.org/10.1021/ja01053a024openalex-snapshot
Topological representation of the stereochemistry of displacement reactions at phosphorus in phosphonium salts and cognate systems
inferredcites →https://doi.org/10.1021/ja01193a005openalex-snapshot
Structural Determination of Paraffin Boiling Points
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/ja01502a050openalex-snapshot
The Relative Stability of Bridged Hydrocarbons. II. endo- and exo-Trimethylenenorbornane. The Formation of Adamantane1,2
inferredcites →https://doi.org/10.1039/tf9393500824openalex-snapshot
The activation energies of reactions involving conjugated systems
inferredcites →https://doi.org/10.1051/jcp/1992891735openalex-snapshot
Correlations using topological indices based on real graph invariants
inferredcites →https://doi.org/10.1063/1.1731676openalex-snapshot
Capacitive Energy and the Ionization of Aromatic Hydrocarbons
inferredcites →https://doi.org/10.1063/1.434593openalex-snapshot
Information theory, distance matrix, and molecular branching
inferredcites →https://doi.org/10.1063/1.467382openalex-snapshot
Conjugated-circuit computations on two-dimensional carbon networks
inferredcites →https://doi.org/10.1070/rc1987v056n10abeh003318openalex-snapshot
Computer-assisted Synthesis
inferredcites →https://doi.org/10.1073/pnas.77.10.5588openalex-snapshot
Hypothetical strain-free oligoradicals
inferredcites →https://doi.org/10.1080/10629369408028836openalex-snapshot
New Topological Indices for Substituents (Molecular Fragments)
inferredcites →https://doi.org/10.1126/science.166.3902.178openalex-snapshot
Computer-Assisted Design of Complex Organic Syntheses
inferredcites →https://doi.org/10.1145/1089369.1089384openalex-snapshot
Numerical and non-numerical methods in chemistry
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/10.1351/pac198254051075openalex-snapshot
Challenging problems involving benzenoid polycyclics and related systems
inferredcites →https://doi.org/10.1351/pac198855020199openalex-snapshot
Topological indices based on topological distances in molecular graphs
inferredcites →https://doi.org/10.1351/pac198860111573openalex-snapshot
Computer assistance in the design of syntheses and a new generation of computer programs for the solution of chemical problems by molecular logic
inferredcites →https://doi.org/10.1351/pac199062030407openalex-snapshot
C60, fullerenes, giant fullerenes and soot
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Principles of Molecular Representations
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Lattice Energy Estimation for Complex Inorganic Ionic Crystal
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Quantitative Structure Property Relations (QSPR) for Predicting Molar Diamagnetic Susceptibilities, χm, of Inorganic Compounds
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Topological Research on Standard Absolute Entropies, S⊖298, for Binary Inorganic Compounds
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Metal‐Addenda Substitution in Plenary Polyoxometalates and in Their Modular Transition Metal Analogues
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Structure‐Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices
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Topological Electronegativity Index and Its Application 2. Enthalpies of Formation for Monosubstituted Alkanes RX
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Toward the Development of “Nano‐QSARs”: Advances and Challenges
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Use of Graph-Theoretic and Geometrical Molecular Descriptors in Structure-Activity Relationships
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Quantitative Structure-Toxicity Relationship Models Based on Hydrophobicity and Electrophilicity
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Modeling Combustion with Detailed Kinetic Mechanisms
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Automatic Generation of Detailed Mechanisms
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Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity
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Drug Design, Molecular Descriptors in
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Semantic Equivalence of Graph Polynomials Definable in Second Order Logic
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Chemical Graph Mining for Classification of Chemical Reactions
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Embeddings of chemical graphs in hypercubes
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A novel topological indexF * and its correlation with standard formation enthalpies of AB n (g) molecules
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Structure and properties of organic molecules. 1. Three-dimensional topological indices of alkanes
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QSPR study of standard absolute entropies for gaseous organic compounds using novel molecular connectivity indexes and Ring parameter
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Novel atom-type AI indices for QSPR studies of alcohols
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Quantitative Structure–Property Relations (QSPRs) for Predicting the Standard Absolute Entropy (S298 K°) of Gaseous Organic Compounds
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High-Speed Tools for Global Information Management. II. Specifications and Uses of the Transparent Query Language (TQL)
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Virtual generation of agents against Mycobacterium tuberculosis. A QSAR study
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Molecular similarity: a key technique in molecular informatics
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Comprehensive theoretical study of all 1812 C 60 isomers
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Predicting Anti‐HIV Activity of Dimethylaminopyridin‐2‐ones: Computational Approach using Topochemical Descriptors
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TOPOLOGICAL MODEL FOR THE PREDICTION OF ALPHA-1 ADRENOCEPTOR ANTAGONISTIC ACTIVITY OF ARYLPIPERAZINES
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Novel topological descriptors for analyzing biological networks
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Connections between Classical and Parametric Network Entropies
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Chemical Informatics and the Drug Discovery Knowledge Pyramid
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Physicochemical Significance of Topological Indices: Importance in Drug Discovery Research
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Chemical Graph Theory for Property Modeling in QSAR and QSPR—Charming QSAR & QSPR
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Desarrollo y aplicación de la teoría QSAR/QSPR
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On Extended Topochemical Atom (ETA) Indices for QSPR Studies
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On Extended Topochemical Atom (ETA) Indices for QSPR Studies
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A Three-Pass Algorithm for Generation of BE-Matrices from IUPAC Names
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Вложение химических графов в гиперкубы
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On the location of roots of graph polynomials
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Mathematical Chemistry: (3,g)-Cages with Girth g, Topological Indices, and Other Graph-Theoretical Problems
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Center and diameter problems in plane triangulations and quadrangulations
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Chemical Graph Theory and the Sherlock Holmes Principle
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The Matrix Expression, Topological Index and Atomic Attribute of Molecular Topological Structure
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