On the public citation graph

Physicochemical Interpretation of Molecular Connectivity Indices

0 signed · 124 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/1097-461x(2000)80:6<1199::aid-qua6>3.0.co;2-mopenalex-snapshot
On characterization of physical properties of amino acids
inferredcites →https://doi.org/10.1002/jps.2600641214openalex-snapshot
Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia
inferredcites →https://doi.org/10.1002/jps.2600641215openalex-snapshot
Molecular Connectivity II: Relationship to Water Solubility and Boiling Point
inferredcites →https://doi.org/10.1002/jps.2600651228openalex-snapshot
Molecular Connectivity VII: Specific Treatment of Heteroatoms
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1007/978-1-4757-3273-3_2openalex-snapshot
Some Relationships between Molecular Energy-Topology and Symmetry
inferredcites →https://doi.org/10.1016/0166-1280(93)87005-xopenalex-snapshot
Viewpoint 4 — Comparative structure-property studies: the connectivity basis
inferredcites →https://doi.org/10.1016/0166-1280(95)90111-6openalex-snapshot
On a quantum chemical interpretation of molecular connectivity indices for conjugated hydrocarbons
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/s0009-2614(01)00127-0openalex-snapshot
Generalization of topological indices
inferredcites →https://doi.org/10.1016/s0009-2614(99)01007-6openalex-snapshot
Connectivity polynomial and long-range contributions in the molecular connectivity model
inferredcites →https://doi.org/10.1016/s0166-1280(97)00366-7openalex-snapshot
On a topological interpretation of electronic and vibrational molecular energies
inferredcites →https://doi.org/10.1016/s1093-3263(01)00097-3openalex-snapshot
Issues in representation of molecular structure
inferredcites →https://doi.org/10.1016/s1093-3263(01)00098-5openalex-snapshot
The connectivity index 25 years after
inferredcites →https://doi.org/10.1016/s1093-3263(01)00102-4openalex-snapshot
Molecular connectivity: intermolecular accessibility and encounter simulation
inferredcites →https://doi.org/10.1021/ci000114uopenalex-snapshot
On Use of the Variable Connectivity Index 1χf in QSAR: Toxicity of Aliphatic Ethers
inferredcites →https://doi.org/10.1021/ci000118zopenalex-snapshot
Variable Connectivity Index for Cycle-Containing Structures
inferredcites →https://doi.org/10.1021/ci00028a011openalex-snapshot
Graph Theoretical Invariant of Randic Revisited
inferredcites →https://doi.org/10.1021/ci00058a004openalex-snapshot
Search for useful graph theoretical invariants of molecular structure
inferredcites →https://doi.org/10.1021/ci980039bopenalex-snapshot
The Vertex-Connectivity Index Revisited
inferredcites →https://doi.org/10.1021/ci990135sopenalex-snapshot
Intermolecular Accessibility: The Meaning of Molecular Connectivity
inferredcites →https://doi.org/10.1021/cr0004456openalex-snapshot
From Molecular Connectivity Indices to Semiempirical Connectivity Terms: Recent Trends in Graph Theoretical Descriptors
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/j100785a001openalex-snapshot
van der Waals Volumes and Radii
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/jp001191vopenalex-snapshot
Modeling with Molecular Pseudoconnectivity Descriptors. A Useful Extension of the Intrinsic I-State Concept
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/10.1142/9789814434430_0003openalex-snapshot
THEORY, CRITICISM AND A PHILOSOPHY
inferredcites →https://doi.org/10.1201/9781482296945openalex-snapshot
Topological Indices and Related Descriptors in QSAR and QSPR

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/adfm.75515openalex-snapshot
Structural Topology of Prodrug Nanoassembly: First Steps Toward Nano‐QSAR
inferred← citeshttps://doi.org/10.1002/chin.200444298openalex-snapshot
Whole Molecule and Atom‐Based Topological Descriptors
inferred← citeshttps://doi.org/10.1002/cjoc.201180316openalex-snapshot
Estimation of Stability Constants of Copper(II) Complexes with α‐Amino Acids Using Connectivity Index 3χv. Common Model for the Binary and Ternary Complexes
inferred← citeshttps://doi.org/10.1002/jcc.10277openalex-snapshot
Complete graph conjecture for inner‐core electrons: Homogeneous index case
inferred← citeshttps://doi.org/10.1002/jcc.21319openalex-snapshot
Model of twelve properties of a set of organic solvents with graph‐theoretical and/or experimental parameters
inferred← citeshttps://doi.org/10.1002/minf.201800122openalex-snapshot
New QSPR Models to Predict the Flammability of Binary Liquid Mixtures
inferred← citeshttps://doi.org/10.1002/qua.20295openalex-snapshot
Model of the physical properties of halides with complete graph‐based indices
inferred← citeshttps://doi.org/10.1007/978-1-4939-2239-0_4openalex-snapshot
A General ANN-Based Multitasking Model for the Discovery of Potent and Safer Antibacterial Agents
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_2openalex-snapshot
The Use of Topological Indices in QSAR and QSPR Modeling
inferred← citeshttps://doi.org/10.1007/s10822-008-9240-5openalex-snapshot
On the interpretation and interpretability of quantitative structure–activity relationship models
inferred← citeshttps://doi.org/10.1007/s10822-012-9591-9openalex-snapshot
Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application
inferred← citeshttps://doi.org/10.1007/s10910-008-9515-zopenalex-snapshot
On a novel connectivity index
inferred← citeshttps://doi.org/10.1007/s10910-009-9542-4openalex-snapshot
On general sum-connectivity index
inferred← citeshttps://doi.org/10.1007/s10910-023-01489-1openalex-snapshot
Graph derivative indices interpretation from the quantum mechanics perspective
inferred← citeshttps://doi.org/10.1007/s11030-009-9129-9openalex-snapshot
Design of novel antituberculosis compounds using graph-theoretical and substructural approaches
inferred← citeshttps://doi.org/10.1007/s11224-021-01737-7openalex-snapshot
Topological characteristics of iterated line graphs in the QSAR problem: a multigraph in the description of properties of unsaturated hydrocarbons
inferred← citeshttps://doi.org/10.1007/s11356-024-34800-xopenalex-snapshot
A novel procedure for selection of molecular descriptors: QSAR model for mutagenicity of nitroaromatic compounds
inferred← citeshttps://doi.org/10.1007/s41660-024-00405-7openalex-snapshot
Incorporation of Safety and Health Properties in Formulation of Fragrance Product
inferred← citeshttps://doi.org/10.1007/s43153-023-00332-zopenalex-snapshot
In silico prediction of the inhibition of new molecules on SARS-CoV-2 3CL protease by using QSAR: PSOSVR approach
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00147-4openalex-snapshot
In Silico Prediction of Oral Bioavailability
inferred← citeshttps://doi.org/10.1016/j.bmc.2013.03.015openalex-snapshot
Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals
inferred← citeshttps://doi.org/10.1016/j.cherd.2015.12.026openalex-snapshot
A new method for estimation of the overall mass transfer coefficient in pertraction
inferred← citeshttps://doi.org/10.1016/j.cherd.2024.01.055openalex-snapshot
Design of formulated fragrant products using rough set machine learning and molecular design tools
inferred← citeshttps://doi.org/10.1016/j.chphi.2024.100754openalex-snapshot
Cheminformatics-driven prediction of BACE-1 inhibitors: Affinity and molecular mechanism exploration
inferred← citeshttps://doi.org/10.1016/j.chroma.2005.10.019openalex-snapshot
Quantitative study of the structure–retention index relationship in the imine family
inferred← citeshttps://doi.org/10.1016/j.chroma.2007.04.004openalex-snapshot
Three-dimensional topographic index applied to the prediction of acyclic C5–C8 alkenes Kováts retention indices on polydimethylsiloxane and squalane columns
inferred← citeshttps://doi.org/10.1016/j.chroma.2010.04.038openalex-snapshot
Quantitative structure–retention relationships of polycyclic aromatic hydrocarbons gas-chromatographic retention indices
inferred← citeshttps://doi.org/10.1016/j.cplett.2011.06.049openalex-snapshot
On atom-bond connectivity index
inferred← citeshttps://doi.org/10.1016/j.egyai.2024.100385openalex-snapshot
Descriptors-based machine-learning prediction of cetane number using quantitative structure–property relationship
inferred← citeshttps://doi.org/10.1016/j.ejmech.2015.09.001openalex-snapshot
Novel 1,4-naphthoquinone-based sulfonamides: Synthesis, QSAR, anticancer and antimalarial studies
inferred← citeshttps://doi.org/10.1016/j.envpol.2020.114837openalex-snapshot
QSAR models for the acute toxicity of 1,2,4-triazole fungicides to zebrafish (Danio rerio) embryos
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2017.10.098openalex-snapshot
Hydrogen storage on lithium decorated zeolite templated carbon, DFT study
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2019.01.196openalex-snapshot
Theoretical studies in the stability of vacancies in zeolite templated carbon for hydrogen storage
inferred← citeshttps://doi.org/10.1016/j.jmgm.2025.108957openalex-snapshot
On topological characterizations and computational analysis of benzenoid networks for drug discovery and development
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126512openalex-snapshot
Application of a new TOPO-Cuprone type V deep eutectic solvent as a carrier of Zn(II), Cd(II), Pb(II) and Cu(II) ions in polymer inclusion membranes. Chemometric methods for new hydrogen bond acceptor (HBA) selection
inferred← citeshttps://doi.org/10.1016/j.psep.2016.01.018openalex-snapshot
A simple and reliable method for prediction of flash point of alcohols based on their elemental composition and structural parameters
inferred← citeshttps://doi.org/10.1016/j.supflu.2023.106034openalex-snapshot
Solubility in supercritical carbon dioxide of two novel amine derivatives of 2,3-dichloronaphthalene-1,4-dione (dichlone)
inferred← citeshttps://doi.org/10.1016/s0065-3276(06)51003-2openalex-snapshot
Chemical Graph Theory—The Mathematical Connection
inferred← citeshttps://doi.org/10.1021/acs.cgd.1c01442openalex-snapshot
Intelligent Mechanochemical Design of Co-Amorphous Mixtures
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.jcim.5b00630openalex-snapshot
First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens
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/acsapm.0c00921openalex-snapshot
Small Data Machine Learning: Classification and Prediction of Poly(ethylene terephthalate) Stabilizers Using Molecular Descriptors
inferred← citeshttps://doi.org/10.1021/acsomega.2c03363openalex-snapshot
Multi-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles
inferred← citeshttps://doi.org/10.1021/ci025604wopenalex-snapshot
What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors
inferred← citeshttps://doi.org/10.1021/ci034036xopenalex-snapshot
Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology
inferred← citeshttps://doi.org/10.1021/ci300057hopenalex-snapshot
Chirality Measures of α-Amino Acids
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/cr9903656openalex-snapshot
Aromaticity of Polycyclic Conjugated Hydrocarbons
inferred← citeshttps://doi.org/10.1021/ct800268copenalex-snapshot
On the Balance of Simplification and Reality in Molecular Modeling of the Electron Density
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/jp049139copenalex-snapshot
Three-Dimensional Generalized Graph Matrix, Harary Descriptors, and a Generalized Interatomic Lennard-Jones Potential
inferred← citeshttps://doi.org/10.1021/jp802018mopenalex-snapshot
Influence of Chelate Ring Interactions on Copper(II) Chelate Stability Studied by Connectivity Index Functions
inferred← citeshttps://doi.org/10.1021/la062785dopenalex-snapshot
Self-Assembled Monolayer of Organic Iodine on a Au Surface for Attachment of Redox-Active Metal Clusters
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/bk9781849730044-00148openalex-snapshot
Molecular Descriptors from Two-Dimensional Chemical Structure
inferred← citeshttps://doi.org/10.1080/1062936032000101501openalex-snapshot
Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1080/1062936x.2017.1326403openalex-snapshot
Exploring the QSAR’s predictive truthfulness of the novel N-tuple discrete derivative indices on benchmark datasets
inferred← citeshttps://doi.org/10.1080/1062936x.2023.2278074openalex-snapshot
QSAR assessment of aquatic toxicity potential of diverse agrochemicals
inferred← citeshttps://doi.org/10.1080/17460441.2022.2128756openalex-snapshot
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides
inferred← citeshttps://doi.org/10.1134/s0022476617030052openalex-snapshot
Effect of the topology of benzotriazole derivatives on their chromatographic retention under RP-HPLC conditions
inferred← citeshttps://doi.org/10.1134/s0022476617040187openalex-snapshot
Relationship between the structure and physicochemical characteristics of 1,2,3,4-tetrahydroquinoline derivatives
inferred← citeshttps://doi.org/10.1186/s13065-024-01376-zopenalex-snapshot
Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins
inferred← citeshttps://doi.org/10.1201/9780203642627.ch5openalex-snapshot
Whole Molecule and Atom-Based Topological Descriptors
inferred← citeshttps://doi.org/10.1246/bcsj.20140037openalex-snapshot
Structural and Physicochemical Interpretation of GT-STAF Information Theory-Based Indices
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/10.2174/0115680266325897240815112505openalex-snapshot
Ligand-Based Approach for Multi-Target Drug Discovery: PTML Modeling of Triple-Target Inhibitors
inferred← citeshttps://doi.org/10.2174/0929867326666190704142354openalex-snapshot
Neurotoxicity of Pesticides: The Roadmap for the Cubic Mode of Action
inferred← citeshttps://doi.org/10.2174/15680266112126660221openalex-snapshot
Evolution of Graph Theory-Based QSAR Methods and their Applications to the Search for New Antibacterial Agents
inferred← citeshttps://doi.org/10.2174/1568026621666211012110819openalex-snapshot
Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery
inferred← citeshttps://doi.org/10.2478/s11532-013-0345-xopenalex-snapshot
Stability prediction of Cu2+, Ni2+ and Zn2+ N-salicylidene-aminoacidato complexes by models based on connectivity index 3 χ v
inferred← citeshttps://doi.org/10.31349/revmexfis.69.031003openalex-snapshot
Catching CO2 pollutant gas through nanocomposite formed by chitosan with non-circular C16 carbon double ring: VAMP study
inferred← citeshttps://doi.org/10.3233/jcm-2004-4413openalex-snapshot
Modeling molecular polarizabilities with graph-theoretical concepts
inferred← citeshttps://doi.org/10.32474/aoics.2018.03.000175openalex-snapshot
Optimization of Chitosan+Activated Carbon Nanocomposite. DFT Study
inferred← citeshttps://doi.org/10.32474/aoics.3.5openalex-snapshot
inferred← citeshttps://doi.org/10.3390/app14209344openalex-snapshot
Perturbation Theory Machine Learning Model for Phenotypic Early Antineoplastic Drug Discovery: Design of Virtual Anti-Lung-Cancer Agents
inferred← citeshttps://doi.org/10.3390/biom11121832openalex-snapshot
In Silico Drug Repurposing for Anti-Inflammatory Therapy: Virtual Search for Dual Inhibitors of Caspase-1 and TNF-Alpha
inferred← citeshttps://doi.org/10.3390/biomedicines10020491openalex-snapshot
PTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors
inferred← citeshttps://doi.org/10.3390/cimb47050301openalex-snapshot
Perturbation-Theory Machine Learning for Multi-Target Drug Discovery in Modern Anticancer Research
inferred← citeshttps://doi.org/10.3390/ijms17060812openalex-snapshot
Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms
inferred← citeshttps://doi.org/10.3390/ijms262311453openalex-snapshot
Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines
inferred← citeshttps://doi.org/10.3390/microorganisms13071620openalex-snapshot
In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors
inferred← citeshttps://doi.org/10.3390/ph18020196openalex-snapshot
In Silico Approach for Antibacterial Discovery: PTML Modeling of Virtual Multi-Strain Inhibitors Against Staphylococcus aureus
inferred← citeshttps://doi.org/10.3390/pr10091767openalex-snapshot
Incorporating Machine Learning in Computer-Aided Molecular Design for Fragrance Molecules
inferred← citeshttps://doi.org/10.34297/ajbsr.2019.04.000843openalex-snapshot
Chitosan Copolymer with Activated Carbon as Nanocomposite Through DFT Modeling
inferred← citeshttps://doi.org/10.5220/0004542004580465openalex-snapshot
Chemoinformatics in Drug Design. Artificial Neural Networks for Simultaneous Prediction of Anti-enterococci Activities and Toxicological Profiles
inferred← citeshttps://doi.org/10.5562/cca2294openalex-snapshot
Degree-Based Topological Indices
inferred← citeshttps://doi.org/10.5562/cca2723openalex-snapshot
How Reliable are Models Based on Topological Index 3χv for the Prediction of Stability Constants?
inferred← citeshttps://doi.org/10.64898/2026.06.03.729746openalex-snapshot
Mapping Chemical Diversity: Descriptor-Guided Clustering of Natural Products in the COCONUT Database
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.