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Predicting properties of molecules using graph invariants
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A Mathematical Theory of Communication
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Isomer discrimination by topological information approach
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Discrimination of isomeric structures using information theoretic topological indices
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Counterexamples to randić's conjecture on distance degree sequences for trees
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Graph theory as applied mathematics
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Physicochemical and Topological Correlates of the Enzymatic Acetyltransfer Reaction
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Molecular Connectivity in Structure–activity Analysis
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Correlation and Estimation of Aqueous Solubilities of Polycyclic Aromatic Hydrocarbons
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Chemical graph theory: Modeling the thermodynamic properties of molecules
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Nonempirical approach to structure-activity studies
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Chemical graph-theoretic cluster expansions
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Recent Advances in Biochemical QSAR
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Chemistry, Quantum Mechanics and Reductionism
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Chemistry, Quantum Mechanics and Reductionism
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Spectral Atlas of Polycyclic Aromatic Compounds
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A graph theoretical approach to structure-property and structure-activity correlations
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Optimal characterization of structure for prediction of properties
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On the complexity of graphs and molecules
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Entropy and the complexity of graphs: II. The information content of digraphs and infinite graphs
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Entropy and the complexity of graphs: I. An index of the relative complexity of a graph
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A note on the information content of graphs
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Life, information theory, and topology
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Highly discriminating distance-based topological index
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Graph—theoretical approach to the calculation of physico-chemical properties of polymers
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Science and information theory
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Computational Chemical Graph Theory
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Some comments on the physico-chemical description of biological activity
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Topological information content of genetic molecules—I.
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Structure activity relationships using molecular connectivity indices with principal component analysis
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Determining structural similarity of chemicals using graph-theoretic indices
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Topological indices: their nature, mutual relatedness, and applications
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A characterization of molecular similarity methods for property prediction
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NEIGHBORHOOD COMPLEXITIES AND SYMMETRY OF CHEMICAL GRAPHS AND THEIR BIOLOGICAL APPLICATIONS
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Molecular Connectivity in Chemistry and Drug Research
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The Physical Foundation of Biology
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Applications of Molecular Connectivity Indexes and Multivariate Analysis in Environmental Chemistry
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The Atom Connectivity Matrix (ACM) and Its Characteristic Polynomial (ACMCP).
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The Atom Connectivity Matrix Characteristic Polynomial (ACMCP) and Its Physico-Geometeric (Topological) Significance.
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The Characteristic Polyomial Does Not Uniquely Determine the Topology of a Molecule
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On molecular identification numbers
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Applications of graph theory in chemistry
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On Randic's molecular identification numbers
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The molecular structure conundrum: Can classical chemistry be reduced to quantum chemistry?
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ES&T Views: Structure-activity relationships
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Molecular modeling of the physical properties of alkanes
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Characterization of molecular branching
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The Atom Connectivity Matrix (ACM) and its Characteristic Polynomial (ACMCP): A New Computer-Oriented Chemical Nomenclature
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Information theory, distance matrix, and molecular branching
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Multivariate Analysis: Techniques for Educational and Psychological Research
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Detection of Influential Observation in Linear Regression
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COMPLEXITY AS A SYSTEM PROPERTY†
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An Analysis of Variance Test for Normality (Complete Samples)
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Structure–Toxicity Relationships for the Fathead Minnow, Pimephales promelas: Narcotic Industrial Chemicals
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Topological Index and Thermodynamic Properties. IV. Size Dependency of the Structure-Activity Correlation of Alkanes
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Novel Applications of Topological Indices. 1. Prediction of the Ultrasonic Sound Velocity in Alkanes and Alcohols
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Multivariate Analysis: Techniques for Educational and Psychological Research
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Detection of Influential Observation in Linear Regression
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Theory and Applications of Correspondence Analysis.
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On an Application of the New Atomic Theory to the Graphical Representation of the Invariants and Covariants of Binary Quantics, With Three Appendices, [Continued]
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On an Application of the New Atomic Theory to the Graphical Representation of the Invariants and Covariants of Binary Quantics, with Three Appendices
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Theory and Applications of Correspondence Analysis.
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An introduction to cybernetics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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QSARs for toxicity of organophosphorous pesticides to Daphnia and honeybees
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Modeling of lipophilicity by means of correlation weighting of local graph invariants
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Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants
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Characterization of the molecular similarity of chemicals using topological invariants
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ON THE SZEGED INDEX AND ITS NON-COMMUTING GRAPH
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Information Entropy of Regular Dendrimer Aggregates and Irregular Intermediate Structures
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Weighted Asymmetry Index: A New Graph-Theoretic Measure for Network Analysis and Optimization
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Weighted Wiener Indices of Molecular Graphs with Application to Alkenes and Alkadienes
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The Generalized Inverse Sum Indeg Index of Some Graph Operations
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Use of Graph Invariants in Quantitative Structure-Activity Relationship Studies
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Applications of Multidimensional Space of Mathematical Molecular Descriptors in Large-Scale Bioactivity and Toxicity Prediction- Applications to Prediction of Mutagenicity and Blood-Brain Barrier Entry of Chemicals
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Philosophy of Mathematical Chemistry: A Personal Perspective
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.