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From Molecular Connectivity Indices to Semiempirical Connectivity Terms: Recent Trends in Graph Theoretical Descriptors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Optimal molecular connectivity descriptors for nitrogen-containing molecules
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Handbook of Molecular Descriptors
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Geometric and Topological Thinking in Organic Chemistry
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On computation of optimal parameters for multivariate analysis of structure‐property relationship
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Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia
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Molecular Connectivity II: Relationship to Water Solubility and Boiling Point
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Molecular Connectivity VII: Specific Treatment of Heteroatoms
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Derivation and Significance of Valence Molecular Connectivity
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Quantitation of Solvent Polarity Based on Molecular Structure
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Molecular Connectivity Model for Determination of Isoelectric Point of Amino Acids
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Modeling the solubility and activity of amino acids with the LCCI method
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Pariser-parr-pople calculations on different DNA constituents
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Predicting properties of molecules using graph invariants
inferredcites →https://doi.org/10.1007/bf01372590openalex-snapshot
Modeling properties of biochemical compounds with connectivity terms
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Encyclopedia of Computational Chemistry
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Highly discriminating distance-based topological index
inferredcites →https://doi.org/10.1016/0009-2614(84)85406-8openalex-snapshot
Hierarchically ordered extended connectivities. reflection in the 1H NMR chemical shifts of condensed benzenoid hydrocarbons
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A molecular connectivity study of electron density in alkanes
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Development of 3-dimensional molecular descriptors
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A newly proposed molecular topological index for the discrimination of cis/trans isomers and for the studies of QSAR/QSPR
inferredcites →https://doi.org/10.1016/0097-8485(93)80008-2openalex-snapshot
Molecular connectivity model for determination of T1 relaxation times of α-carbons of amino acids and cyclic dipeptides
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Molecular connectivity in structure-activity analysis
inferredcites →https://doi.org/10.1016/0166-1280(89)85013-4openalex-snapshot
The limits of applicability of topological indices
inferredcites →https://doi.org/10.1016/0166-1280(91)85053-aopenalex-snapshot
Correlation of enthalphy of octanes with orthogonal connectivity indices
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Determining structural similarity of chemicals using graph-theoretic indices
inferredcites →https://doi.org/10.1016/0169-7439(91)80051-qopenalex-snapshot
Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships
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Molecular connectivity parameter and enthalpy of mixing
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Molecular Connectivity in Chemistry and Drug Research
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On a topological interpretation of electronic and vibrational molecular energies
inferredcites →https://doi.org/10.1016/s0166-1280(98)00108-0openalex-snapshot
Properties of molecular connectivity terms and physicochemical properties
inferredcites →https://doi.org/10.1016/s0263-7855(96)00081-1openalex-snapshot
Pharmacological distribution diagrams: A tool for de novo drug design
inferredcites →https://doi.org/10.1016/s0960-894x(97)00046-2openalex-snapshot
Molecular connectivity to find β-blockers with low toxicity
inferredcites →https://doi.org/10.1021/ac00146a002openalex-snapshot
Prediction of olefin boiling points from molecular structure
inferredcites →https://doi.org/10.1021/ci00002a018openalex-snapshot
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors
inferredcites →https://doi.org/10.1021/ci00005a005openalex-snapshot
Comparative study of molecular descriptors derived from the distance matrix
inferredcites →https://doi.org/10.1021/ci00005a014openalex-snapshot
Wiener and Randic topological indexes for graphs
inferredcites →https://doi.org/10.1021/ci00005a018openalex-snapshot
Computer-assisted study of the relationship between molecular structure and surface tension of organic compounds
inferredcites →https://doi.org/10.1021/ci00011a021openalex-snapshot
Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts
inferredcites →https://doi.org/10.1021/ci00011a022openalex-snapshot
Design of molecules from quantitative structure-activity relationship models. 2. Derivation and proof of information transfer relating equations
inferredcites →https://doi.org/10.1021/ci00019a008openalex-snapshot
Charge Indexes. New Topological Descriptors
inferredcites →https://doi.org/10.1021/ci00020a012openalex-snapshot
On a Graph Theoretical Characterization of Cis/Trans Isomers
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/ci00023a004openalex-snapshot
Edge Adjacency Relationships and a Novel Topological Index Related to Molecular Volume
inferredcites →https://doi.org/10.1021/ci00024a017openalex-snapshot
Topological Approach to Drug Design
inferredcites →https://doi.org/10.1021/ci00047a033openalex-snapshot
Applications of graph theory in chemistry
inferredcites →https://doi.org/10.1021/ci00058a004openalex-snapshot
Search for useful graph theoretical invariants of molecular structure
inferredcites →https://doi.org/10.1021/ci950168hopenalex-snapshot
Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds
inferredcites →https://doi.org/10.1021/ci960020dopenalex-snapshot
Modeling Purines and Pyrimidines with the Linear Combination of Connectivity Indices−Molecular Connectivity “LCCI-MC” Method
inferredcites →https://doi.org/10.1021/ci960174topenalex-snapshot
On Characterization of Chemical Structure
inferredcites →https://doi.org/10.1021/ci9604605openalex-snapshot
Four Association Coefficients for Relating Molecular Similarity Measures
inferredcites →https://doi.org/10.1021/ci970030uopenalex-snapshot
Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing Cycles
inferredcites →https://doi.org/10.1021/ci9700687openalex-snapshot
Quantitative Structure−Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers
inferredcites →https://doi.org/10.1021/ci970095xopenalex-snapshot
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries
inferredcites →https://doi.org/10.1021/ci970243jopenalex-snapshot
Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes
inferredcites →https://doi.org/10.1021/ci980039bopenalex-snapshot
The Vertex-Connectivity Index Revisited
inferredcites →https://doi.org/10.1021/ci980054gopenalex-snapshot
Modeling Properties with Higher-Level Molecular Connectivity Descriptors
inferredcites →https://doi.org/10.1021/ci980070dopenalex-snapshot
New QSAR Methods Applied to Structure−Activity Mapping and Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci9800763openalex-snapshot
Optimal Molecular Descriptors Based on Weighted Path Numbers
inferredcites →https://doi.org/10.1021/ci980109eopenalex-snapshot
Molecular Diversity and Representativity in Chemical Databases
inferredcites →https://doi.org/10.1021/ci990114yopenalex-snapshot
Topological Indices: Their Nature and Mutual Relatedness
inferredcites →https://doi.org/10.1021/ci990119vopenalex-snapshot
QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity Indices
inferredcites →https://doi.org/10.1021/ci990135sopenalex-snapshot
Intermolecular Accessibility: The Meaning of Molecular Connectivity
inferredcites →https://doi.org/10.1021/ed064p575openalex-snapshot
Molecular structure: Property relationships
inferredcites →https://doi.org/10.1021/ed065p574openalex-snapshot
Chemical applications of graph theory. Part I. Fundamentals and topological indices
inferredcites →https://doi.org/10.1021/ed069p701openalex-snapshot
A graph-theoretical approach to structure-property relationships
inferredcites →https://doi.org/10.1021/ed076p1363openalex-snapshot
The Franck-Condon Principle and Condon Parabolas in a Physical Chemistry or Quantum Physics Course
inferredcites →https://doi.org/10.1021/j100003a015openalex-snapshot
Molecular Modeling by Linear Combinations of Connectivity Indexes
inferredcites →https://doi.org/10.1021/j100056a021openalex-snapshot
Molecular connectivity descriptors of the physicochemical properties of the .alpha.-amino acids
inferredcites →https://doi.org/10.1021/j100127a026openalex-snapshot
Molecular connectivity model for determination of physicochemical properties of .alpha.-amino acids
inferredcites →https://doi.org/10.1021/j100465a018openalex-snapshot
Forces between molecules in liquids. 1. Pure nonpolar liquids
inferredcites →https://doi.org/10.1021/ja00221a015openalex-snapshot
Molecular modeling of the physical properties of alkanes
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
Importance of nonbonded attraction in the stereochemistry of the SN2' reaction
inferredcites →https://doi.org/10.1021/jp961434copenalex-snapshot
Modeling with Special Descriptors Derived from a Medium-Sized Set of Connectivity Indices
inferredcites →https://doi.org/10.1021/jp983268+openalex-snapshot
Modeling with Semiempirical Molecular Connectivity Terms
inferredcites →https://doi.org/10.1023/a:1019102415633openalex-snapshot
Two alternative derivations of Bridgman's theorem
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Computer-assisted rational design of immunosuppressive compounds
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Studies of Hydration by Broad-Line Pulsed NMR
inferredcites →https://doi.org/10.1080/10629369408233985openalex-snapshot
Molecular Similarity and Risk Assessment: Analog Selection and Property Estimation Using Graph Invariants
inferredcites →https://doi.org/10.1080/10629369708039124openalex-snapshot
New Developments in QSPR/QSAR Modeling Based on Topological Indices
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An Evaluation of Structural Descriptors and Clustering Methods for Use in Diversity Selection
inferredcites →https://doi.org/10.1080/10629369908039162openalex-snapshot
Prediction of the Deral Penetration of Polycyclic Aromatic Hydrocarbons (PAHs): A hierarchical Qsar Approach
inferredcites →https://doi.org/10.1080/10629369908039172openalex-snapshot
Assessment of the Mutagenicity of Aromatic Amines from Theoretical Structural Parameters: A Hierarchical Approach
inferredcites →https://doi.org/10.1139/v82-070openalex-snapshot
The relation of physical properties of alkanes to connectivity indices: a molecular explanation
inferredcites →https://doi.org/10.1201/9781482296945openalex-snapshot
Topological Indices and Related Descriptors in QSAR and QSPR
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Discrete Mathematics and Its Applications
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Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons
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Boiling Point and the Refraction (Polarizability) of Exposed Atoms
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Optimization of a Regression Model for a Quantitative Structure. Mutagenicity Relationship of Some Natural Amino Acids
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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ChemInform Abstract: From Molecular Connectivity Indices to Semiempirical Connectivity Terms: Recent Trends in Graph Theoretical Descriptors
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QSAR of Novel Hydroxyphenylureas as Antioxidant Agents
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Extremal graphs on geometric‐arithmetic index of tetracyclic chemical graphs
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Unicyclic graphs of given girth k≥4 having smallest general sum-connectivity index
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Computing degree based topological indices of algebraic hypergraphs
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Molecular basis of the interaction of novel tributyltin(IV) 2/4-[(E)-2-(aryl)-1-diazenyl]benzoates endowed with an improved cytotoxic profile: Synthesis, structure, biological efficacy and QSAR studies
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2011.10.008openalex-snapshot
An in vitro comparative assessment with a series of new triphenyltin(IV) 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoates endowed with anticancer activities: Structural modifications, analysis of efficacy and cytotoxicity involving human tumor cell lines
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On the sharp lower bounds of Zagreb indices of graphs with given number of cut vertices
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.01.004openalex-snapshot
A general QSPR model for the prediction of θ (lower critical solution temperature) in polymer solutions with topological indices
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.09.005openalex-snapshot
Highly correlating distance/connectivity-based topological indices
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Nucleotide's bilinear indices: Novel bio-macromolecular descriptors for bioinformatics studies of nucleic acids. I. Prediction of paromomycin's affinity constant with HIV-1 Ψ-RNA packaging region
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.physrep.2016.07.001openalex-snapshot
Green’s function approach for quantum graphs: An overview
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Application of molecular topology to the prediction of potency and selection of novel insecticides active against malaria vectors
inferred← citeshttps://doi.org/10.1016/j.virol.2006.09.012openalex-snapshot
Understanding human rhinovirus infections in terms of QSAR
inferred← citeshttps://doi.org/10.1016/s0009-2614(01)00127-0openalex-snapshot
Generalization of topological indices
inferred← citeshttps://doi.org/10.1016/s0009-2614(02)00153-7openalex-snapshot
On relationships between vertex-degrees, path-numbers and graph valence-shells in trees
inferred← citeshttps://doi.org/10.1016/s0065-3276(06)51003-2openalex-snapshot
Chemical Graph Theory—The Mathematical Connection
inferred← citeshttps://doi.org/10.1016/s0097-8485(02)00016-5openalex-snapshot
Graphs with maximum connectivity index
inferred← citeshttps://doi.org/10.1016/s0166-1280(01)00746-1openalex-snapshot
Topics in molecular modeling: dual indices, quality of modeling and missing information, truncation
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00740-6openalex-snapshot
Application of molecular topology to the prediction of antifungal activity for a set of dication-substituted carbazoles, furans and benzimidazoles
inferred← citeshttps://doi.org/10.1016/s1004-9541(13)60483-8openalex-snapshot
A Quantitative Structure Property Relationship for Prediction of Flash Point of Alkanes Using Molecular Connectivity Indices
inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00097-3openalex-snapshot
Issues in representation of molecular structure
inferred← citeshttps://doi.org/10.1016/s1570-7946(06)80158-6openalex-snapshot
Multiclass molecular knowledge framework for product and process design
inferred← citeshttps://doi.org/10.1021/acs.est.5c18542openalex-snapshot
In Silico Analysis of Contaminant Persistence: From QSARs to Machine Learning Models
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01787openalex-snapshot
Correlation of the Molecular Cross-Sectional Area of Organic Monofunctional Compounds with Topological Descriptors
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b05994openalex-snapshot
Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach
inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c01308openalex-snapshot
Search for H-Bonded Motifs in Liquid Ethylene Glycol Using a Machine Learning Strategy
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5b00135openalex-snapshot
A Simple Index for Characterizing Charge Transport in Molecular Materials
inferred← citeshttps://doi.org/10.1021/acs.jpclett.6b02921openalex-snapshot
Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains
inferred← citeshttps://doi.org/10.1021/acsmacrolett.3c00105openalex-snapshot
Bridging the Monomer to Polymer Gap in Radical Polymer Design
inferred← citeshttps://doi.org/10.1021/ci000105lopenalex-snapshot
On Structural Interpretation of Several Distance Related Topological Indices
inferred← citeshttps://doi.org/10.1021/ci000106dopenalex-snapshot
Retro-RegressionAnother Important Multivariate Regression Improvement
inferred← citeshttps://doi.org/10.1021/ci000142copenalex-snapshot
How Far Are Molecular Connectivity Descriptors from IS Molecular Pseudoconnectivity Descriptors?
inferred← citeshttps://doi.org/10.1021/ci000156iopenalex-snapshot
3D Connectivity Indices in QSPR/QSAR Studies
inferred← citeshttps://doi.org/10.1021/ci020286mopenalex-snapshot
Algorithmically Compressed Data and the Topological Conjecture for the Inner-Core Electrons
inferred← citeshttps://doi.org/10.1021/ci025542+openalex-snapshot
QCODES − Fast Topological Descriptors for Macromolecules
inferred← citeshttps://doi.org/10.1021/ci034093qopenalex-snapshot
Modified Connectivity Indices and Their Application to QSPR Study
inferred← citeshttps://doi.org/10.1021/ci0341262openalex-snapshot
Encoding the Core Electrons with Graph Concepts
inferred← citeshttps://doi.org/10.1021/cr0780006openalex-snapshot
Some New Trends in Chemical Graph Theory
inferred← citeshttps://doi.org/10.1021/cr900238dopenalex-snapshot
Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
inferred← citeshttps://doi.org/10.1021/ct500136xopenalex-snapshot
Efficient Basin-Hopping Sampling of Reaction Intermediates through Molecular Fragmentation and Graph Theory
inferred← citeshttps://doi.org/10.1021/ie010966zopenalex-snapshot
Correlation of Henry's Constants of Nonpolar and Polar Solutes in Molten Polymers Using Connectivity Indices
inferred← citeshttps://doi.org/10.1021/jp026238mopenalex-snapshot
Physicochemical Interpretation of Molecular Connectivity Indices
inferred← citeshttps://doi.org/10.1021/jp0346561openalex-snapshot
Generalized Graph Matrix, Graph Geometry, Quantum Chemistry, and Optimal Description of Physicochemical Properties
inferred← citeshttps://doi.org/10.1021/jp053408xopenalex-snapshot
Simplex Optimization of Generalized Topological Index (GTI−Simplex): A Unified Approach to Optimize QSPR Models
inferred← citeshttps://doi.org/10.1021/mp700119eopenalex-snapshot
Understanding Tubulin/Microtubule−Taxane Interactions: A Quantitative Structure–Activity Relationship Study
inferred← citeshttps://doi.org/10.1021/mp8000149openalex-snapshot
Combating the Threat of Anthrax: A Quantitative Structure−Activity Relationship Approach
inferred← citeshttps://doi.org/10.1021/mp800138wopenalex-snapshot
Overcoming Tumor Drug Resistance with C2-Modified 10-Deacetyl-7-propionyl Cephalomannines: A QSAR Study
inferred← citeshttps://doi.org/10.1023/a:1012976623974openalex-snapshot
Prediction of Physical Properties of Organic Compounds Using Artificial Neural Networks within the Substructure Approach
inferred← citeshttps://doi.org/10.1023/a:1022467508832openalex-snapshot
Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds
inferred← citeshttps://doi.org/10.1039/b210474copenalex-snapshot
Model with dual indices and complete graphs. The heterogeneous description of the dipole moments and polarizabilities
inferred← citeshttps://doi.org/10.1039/b506091popenalex-snapshot
A natural graph-theory model for partition and kinetic coefficients
inferred← citeshttps://doi.org/10.1039/c3ra41435copenalex-snapshot
Testing selected optimal descriptors with artificial neural networks
inferred← citeshttps://doi.org/10.1063/1.4897638openalex-snapshot
Ion aggregation in high salt solutions. II. Spectral graph analysis of water hydrogen-bonding network and ion aggregate structures
inferred← citeshttps://doi.org/10.1063/1.4930608openalex-snapshot
Ion aggregation in high salt solutions. IV. Graph-theoretical analyses of ion aggregate structure and water hydrogen bonding network
inferred← citeshttps://doi.org/10.1063/1.4952648openalex-snapshot
Ion aggregation in high salt solutions. V. Graph entropy analyses of ion aggregate structure and water hydrogen bonding network
inferred← citeshttps://doi.org/10.1080/00268970802314402openalex-snapshot
Construction and studies of a new class of reciprocal trees: interknitting of the Pascal's triangle
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/10.1080/07391102.2020.1800512openalex-snapshot
Calculating degree based multiplicative topological indices of Hyaluronic Acid-Paclitaxel conjugates’ molecular structure in cancer treatment
inferred← citeshttps://doi.org/10.1080/10406638.2020.1743329openalex-snapshot
Multiplicative Topological Indices of Molecular Structure in Anticancer Drugs
inferred← citeshttps://doi.org/10.1080/10629360802551000openalex-snapshot
Improvement of charge-transfer indices for multifunctional amino acids: Application to lysozyme
inferred← citeshttps://doi.org/10.1080/10659360500036927openalex-snapshot
Predictability and prediction of lowest observed adverse effect levels in a structurally heterogeneous set of chemicals
inferred← citeshttps://doi.org/10.1086/592481openalex-snapshot
Biological Codes and Topological Causation
inferred← citeshttps://doi.org/10.1109/icecc.2011.6067751openalex-snapshot
Progress in general sum-connectivity index
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00739.xopenalex-snapshot
QSAR Study of 2‐(1‐Propylpiperidin‐4‐yl)‐1H‐Benzimidazole‐4‐Carboxamide as PARP Inhibitors for Treatment of Cancer
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00816.xopenalex-snapshot
Taxane Analogues against Lung Cancer: A Quantitative Structure–Activity Relationship Study
inferred← citeshttps://doi.org/10.1139/cjc-2017-0206openalex-snapshot
On molecular topological properties of diamond-like networks
inferred← citeshttps://doi.org/10.1155/2013/795621openalex-snapshot
Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques
inferred← citeshttps://doi.org/10.1155/2019/4291943openalex-snapshot
Topology-Based Analysis of OTIS (Swapped) Networks OKn and OPn
inferred← citeshttps://doi.org/10.1155/2020/9805829openalex-snapshot
Reverse Zagreb and Reverse Hyper-Zagreb Indices for Crystallographic Structure of Molecules
inferred← citeshttps://doi.org/10.1155/2021/6616056openalex-snapshot
Properties of Total Transformation Graphs for General Sum‐Connectivity Index
inferred← citeshttps://doi.org/10.1155/2023/4891083openalex-snapshot
Chromatic Schultz and Gutman Polynomials of Jahangir Graphs J 2 , m and J 3 , m
inferred← citeshttps://doi.org/10.1155/2023/7341285openalex-snapshot
Hosoya, Schultz, and Gutman Polynomials of Generalized Petersen Graphs P n , 1 and P n , 2
inferred← citeshttps://doi.org/10.1201/b18389-3openalex-snapshot
The Adjacency Matrix and Related Matrices
inferred← citeshttps://doi.org/10.1246/bcsj.20140358openalex-snapshot
Graph-Theoretical Modelling of Stability Constants of Copper(II) Complexes with Tripeptides Containing Glycine, Glutamic acid, and Histidine
inferred← citeshttps://doi.org/10.1515/chem-2019-0009openalex-snapshot
Topological Indices of Hyaluronic Acid-Paclitaxel Conjugates’ Molecular Structure in Cancer Treatment
inferred← citeshttps://doi.org/10.1517/17460441.2012.652083openalex-snapshot
Molecular topology as a novel approach for drug discovery
inferred← citeshttps://doi.org/10.18052/www.scipress.com/ilcpa.44.73openalex-snapshot
The General Connectivity and General Sum-Connectivity Indices of Nanostructures
inferred← citeshttps://doi.org/10.18514/mmn.2012.462openalex-snapshot
On the modified Randić index of trees, unicyclic graphs and bicyclic graphs
inferred← citeshttps://doi.org/10.20450/mjcce.2013.127openalex-snapshot
Comparing energy and Randic energy
inferred← citeshttps://doi.org/10.20944/preprints202407.1499.v1openalex-snapshot
Mathematical Symphonies in Copper Oxide: A Graph Entropy Approach to Topological Analysis and Applications
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1318934/v1openalex-snapshot
QSAR, molecular docking and ADMET studies of Quinoline, Isoquinoline and Quinazoline derivatives against Plasmodium falciparum malaria
inferred← citeshttps://doi.org/10.2174/157016409789973770openalex-snapshot
Topological Charge-Transfer Indices: From Small Molecules to Proteins
inferred← citeshttps://doi.org/10.2174/15734099113096660047openalex-snapshot
Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds
inferred← citeshttps://doi.org/10.2174/978160805379711201010194openalex-snapshot
Overview of QSAR Modelling in Rational Drug Design
inferred← citeshttps://doi.org/10.2298/fil1206189lopenalex-snapshot
Sharp bounds on Zagreb indices of cacti with k pendant vertices
inferred← citeshttps://doi.org/10.2298/fil1507639topenalex-snapshot
Extremal topological indices for graphs of given connectivity
inferred← citeshttps://doi.org/10.2481/dsj.1.203openalex-snapshot
Limits with modeling data and modeling data with limits
inferred← citeshttps://doi.org/10.2481/dsj.2.1openalex-snapshot
Graph-theoretical concepts and physicochemical data
inferred← citeshttps://doi.org/10.26493/1855-3974.795.ebfopenalex-snapshot
Mathematical aspects of Wiener index
inferred← citeshttps://doi.org/10.26565/2220-637x-2019-32-02openalex-snapshot
A new approach in topological descriptors usage. Iterated line graphs in the theoretical prediction of physico-chemical properties of saturated hydrocarbons
inferred← citeshttps://doi.org/10.3233/jcm-2004-4413openalex-snapshot
Modeling molecular polarizabilities with graph-theoretical concepts
inferred← citeshttps://doi.org/10.3233/jcm-2008-84-604openalex-snapshot
The depleted hydrogen atoms in chemical graph theory
inferred← citeshttps://doi.org/10.3390/91201160openalex-snapshot
Using Variable and Fixed Topological Indices for the Prediction of Reaction Rate Constants of Volatile Unsaturated Hydrocarbons with OH Radicals
inferred← citeshttps://doi.org/10.3390/app8071094openalex-snapshot
Modeling Properties with Artificial Neural Networks and Multilinear Least-Squares Regression: Advantages and Drawbacks of the Two Methods
inferred← citeshttps://doi.org/10.3390/axioms15040291openalex-snapshot
Zagreb-Type Indices of the Fractal Graphs Based on Star Graphs
inferred← citeshttps://doi.org/10.3390/i5110276openalex-snapshot
Nucleic Acid Quadratic Indices of the “Macromolecular Graph’s Nucleotides Adjacency Matrix”. Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 Ψ-RNA Packaging Region
inferred← citeshttps://doi.org/10.3390/i8200456openalex-snapshot
Internal Test Sets Studies in a Group of Antimalarials
inferred← citeshttps://doi.org/10.3390/sym14122507openalex-snapshot
The Singularity of Four Kinds of Tricyclic Graphs
inferred← citeshttps://doi.org/10.35537/10915/165420openalex-snapshot
Búsqueda de nuevos fármacos antihelmínticos basada en el análisis estructura-función de proteínas que unen ácidos grasos (FABPs) de cestodos mediante técnicas bioinformáticas y quimioinformáticas
inferred← citeshttps://doi.org/10.35537/10915/43315openalex-snapshot
Búsqueda racional de nuevos fármacos antichagásicos inhibidores de la cruzipaína
inferred← citeshttps://doi.org/10.35537/10915/51575openalex-snapshot
Topología molecular aplicada a la búsqueda de nuevos fármacos para el tratamiento de la epilepsia refractaria
inferred← citeshttps://doi.org/10.3934/math.2023448openalex-snapshot
The singularity of two kinds of tricyclic graphs
inferred← citeshttps://doi.org/10.4018/978-1-4666-4010-8.ch002openalex-snapshot
Graph-Theoretical Indices based on Simple, General and Complete Graphs
inferred← citeshttps://doi.org/10.4018/978-1-60960-860-6.ch006openalex-snapshot
A QSAR/QSPR Study with Graph-Theoretical Indices based on a New Type of Vertex Degree
inferred← citeshttps://doi.org/10.4018/ijcce.2011010102openalex-snapshot
Graph-Theoretical Indices based on Simple, General and Complete Graphs
inferred← citeshttps://doi.org/10.48550/arxiv.0704.2282openalex-snapshot
Kekulé Cells for Molecular Computation
inferred← citeshttps://doi.org/10.48550/arxiv.0909.4577openalex-snapshot
On Sum--Connectivity Index of Bicyclic Graphs
inferred← citeshttps://doi.org/10.48550/arxiv.1210.5043openalex-snapshot
Sum-connectivity indices of trees and unicyclic graphs of fixed maximum degree
inferred← citeshttps://doi.org/10.48550/arxiv.1704.06943openalex-snapshot
On the sharp upper and lower bounds of multiplicative Zagreb indices of graphs with connectivity at most k
inferred← citeshttps://doi.org/10.48550/arxiv.1711.09014openalex-snapshot
The multiplicative Zagreb indices of graphs with given connectivity or number of pendant vertices
inferred← citeshttps://doi.org/10.48550/arxiv.2107.00071openalex-snapshot
Randic index, radius, and diameter for cactus graphs
inferred← citeshttps://doi.org/10.5562/cca2052openalex-snapshot
Relations Between the Product- and Sum-connectivity Indices
inferred← citeshttps://doi.org/10.61091/um119-03openalex-snapshot
On Exploring the Topological Aspects of the Chemical Structure of the Nanotube \(HAC_{5}C_{7}[w,t]\)
inferred← citeshttps://doi.org/10.6339/jds.2003.01(4).172openalex-snapshot
The Matrix Expression, Topological Index and Atomic Attribute of Molecular Topological Structure
inferred← citeshttps://doi.org/10.9790/5736-1005012022openalex-snapshot
Studies on Anti-Inflammation Activity of Phenols Using Newly Introduced Balaban Indices
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