On the public citation graph
Applications of graph theory in chemistry
0 signed · 451 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.
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known work and none has been retracted — and get a dated CiteStamped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.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/anie.196907811openalex-snapshot
The Conservation of Orbital Symmetry
inferredcites →https://doi.org/10.1007/978-3-642-93069-0openalex-snapshot
Topological Approach to the Chemistry of Conjugated Molecules
inferredcites →https://doi.org/10.1007/978-3-642-93266-3openalex-snapshot
Perspectives in Theoretical Stereochemistry
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/s0040-4039(01)85753-1openalex-snapshot
Comprehensive organic chemistry
inferredcites →https://doi.org/10.1021/bk-1977-0046openalex-snapshot
Algorithms for Chemical Computations
inferredcites →https://doi.org/10.1021/ed027p581.2openalex-snapshot
A new notation and enumeration system for organic compounds
inferredcites →https://doi.org/10.1021/ja01612a112openalex-snapshot
A Line-Formula Chemical Notation.
inferredcites →https://doi.org/10.1137/1012096openalex-snapshot
The Mathematical Sciences: A Collection of Essays (COSRIMS)
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4826330openalex-extracted
Uncertainty-Aware Efficient Subgraph Isomorphism Using Graph Topology
inferred← citeshttps://doi.org/10.1002/(sici)1098-2280(1996)28:1<31::aid-em7>3.0.co;2-hopenalex-snapshot
A computerized connectivity approach for analyzing the structural basis of mutagenicity in Salmonella and its relationship with rodent carcinogenicity
inferred← citeshttps://doi.org/10.1002/(sici)1098-2280(1999)33:3<226::aid-em7>3.0.co;2-uopenalex-snapshot
Computer-aided analysis of mutagenicity and cell transformation data for assessing their relationship with carcinogenicity
inferred← citeshttps://doi.org/10.1002/(sici)1098-2728(2000)12:1<37::aid-lra7>3.0.co;2-nopenalex-snapshot
On the DZKP molecular descriptors
inferred← citeshttps://doi.org/10.1002/1615-9314(20010301)24:3<213::aid-jssc213>3.0.co;2-4openalex-snapshot
Chemometrics to chemical modeling: Structural coding in hydrocarbons and retention indices of gas chromatography
inferred← citeshttps://doi.org/10.1002/9780470125793.ch10openalex-snapshot
The Electron‐Topological Approach to the QSAR Problem
inferred← citeshttps://doi.org/10.1002/9780470171981.ch4openalex-snapshot
Transmission of Substituent Effects: The Through‐Space and Through‐Bond Models and their Experimental Verification
inferred← citeshttps://doi.org/10.1002/9783527618279.ch3openalex-snapshot
Representation of Molecular Structures‐Overview
inferred← citeshttps://doi.org/10.1002/9783527806836.ch6openalex-snapshot
Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science
inferred← citeshttps://doi.org/10.1002/cjoc.200690163openalex-snapshot
Lattice Energy Estimation for Complex Inorganic Ionic Crystal
inferred← citeshttps://doi.org/10.1002/cjoc.200790138openalex-snapshot
Quantitative Structure Property Relations (QSPR) for Predicting Molar Diamagnetic Susceptibilities, χm, of Inorganic Compounds
inferred← citeshttps://doi.org/10.1002/cjoc.200890219openalex-snapshot
Topological Research on Standard Absolute Entropies, S⊖298, for Binary Inorganic Compounds
inferred← citeshttps://doi.org/10.1002/ddr.70212openalex-snapshot
Mathematical and Artificial Intelligence Techniques in Modern Drug Discovery: A Review
inferred← citeshttps://doi.org/10.1002/jcc.10338openalex-snapshot
Novel topological indexFbased on incidence matrix
inferred← citeshttps://doi.org/10.1002/jcc.540080413openalex-snapshot
Linear notations and molecular graph similarity
inferred← citeshttps://doi.org/10.1002/jcc.540080432openalex-snapshot
Innate degree of freedom of a graph
inferred← citeshttps://doi.org/10.1002/jcc.540090405openalex-snapshot
Combinatorial models and algorithms in chemistry. Search for isomorphisms and automorphisms of molecular graphs
inferred← citeshttps://doi.org/10.1002/jcc.540110802openalex-snapshot
Combinatorial models and algorithms in chemistry. The expanded Wiener number—a novel topological index
inferred← citeshttps://doi.org/10.1002/jcc.540120502openalex-snapshot
Molecular topology. IV. Regressive vertex degrees (new graph invariants) and derived topological indices
inferred← citeshttps://doi.org/10.1002/jcc.70048openalex-snapshot
Book Review: “Electron Localization‐Delocalization Matrices” by Chérif F. Matta, Paul W. Ayers, and Ronald Cook
inferred← citeshttps://doi.org/10.1002/jcc.70121openalex-snapshot
Graph Neural Network for 3‐Dimensional Structures Including Dihedral Angles for Molecular Property Prediction
inferred← citeshttps://doi.org/10.1002/qsar.200430894openalex-snapshot
Highly Correlating Distance‐Connectivity‐Based Topological Indices. 2: Prediction of 15 Properties of a Large Set of Alkanes Using a Stepwise Factor Selection‐Based PCR Analysis
inferred← citeshttps://doi.org/10.1002/qsar.200430918openalex-snapshot
Model for Prediction of Anti‐HIV Activity of 2‐Pyridinone Derivatives Using Novel Topological Descriptor
inferred← citeshttps://doi.org/10.1002/qua.20748openalex-snapshot
Automated mechanism generation: From symbolic calculation to complex chemistry
inferred← citeshttps://doi.org/10.1002/qua.26870openalex-snapshot
Molecular representations for machine learning applications in chemistry
inferred← citeshttps://doi.org/10.1002/qua.27268openalex-snapshot
Distance based molecular characterization and QSPR modeling of properties of triazine based dendrimer
inferred← citeshttps://doi.org/10.1002/qua.27474openalex-snapshot
Neighborhood Degree Based Topological Indices of Nanotube via Direct and NM‐Polynomial
inferred← citeshttps://doi.org/10.1002/qua.560300718openalex-snapshot
On the identification numbers for chemical structures
inferred← citeshttps://doi.org/10.1002/qua.560460505openalex-snapshot
Self‐returning walks and fractional electronic charges of atoms in molecules
inferred← citeshttps://doi.org/10.1002/wcms.70025openalex-snapshot
Machine Learning Transition State Geometries and Applications in Reaction Property Prediction
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/10.1007/978-0-8176-4904-3openalex-snapshot
Towards an Information Theory of Complex Networks: Statistical Methods and Applications
inferred← citeshttps://doi.org/10.1007/978-0-8176-4904-3_5openalex-snapshot
Information-Theoretic Methods in Chemical Graph Theory
inferred← citeshttps://doi.org/10.1007/978-1-4471-5307-8_2openalex-snapshot
Modeling Combustion with Detailed Kinetic Mechanisms
inferred← citeshttps://doi.org/10.1007/978-1-4471-5307-8_3openalex-snapshot
Automatic Generation of Detailed Mechanisms
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/10.1007/978-3-030-11512-8_5openalex-snapshot
Intermodal Terminals Network Modelling
inferred← citeshttps://doi.org/10.1007/978-3-030-13690-1_2openalex-snapshot
Social Network Measures and Analysis
inferred← citeshttps://doi.org/10.1007/978-3-031-02383-5_2openalex-snapshot
Materials Representations
inferred← citeshttps://doi.org/10.1007/978-3-031-20875-1_42openalex-snapshot
Graph Model for Cyber-Physical Systems Security
inferred← citeshttps://doi.org/10.1007/978-3-032-05281-0_14openalex-snapshot
Designing Efficient and Scalable Substructure Discovery Algorithms for Multilayer Networks
inferred← citeshttps://doi.org/10.1007/978-3-319-00272-9_2openalex-snapshot
How Far Chemistry and Toxicology are Computational Sciences?
inferred← citeshttps://doi.org/10.1007/978-3-319-04126-1_7openalex-snapshot
Search Strategies for Subgraph Isomorphism Algorithms
inferred← citeshttps://doi.org/10.1007/978-3-319-29022-5_3openalex-snapshot
Localization-Delocalization Matrices and Electron Density-Weighted Adjacency/Connectivity Matrices: A Bridge Between the Quantum Theory of Atoms in Molecules and Chemical Graph Theory
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/10.1007/978-3-540-68409-1_15openalex-snapshot
On Certain Graph Theory Applications
inferred← citeshttps://doi.org/10.1007/978-3-642-73975-0_40openalex-snapshot
Reaction Planning (Computer Aided Reaction Design)
inferred← citeshttps://doi.org/10.1007/bf00540030openalex-snapshot
Discrimination and ordering of chemical structures by the number of walks
inferred← citeshttps://doi.org/10.1007/bf01164197openalex-snapshot
A topological approach to the modelling of polymer properties (The tempo method)
inferred← citeshttps://doi.org/10.1007/bf01164200openalex-snapshot
Nonisomorphic graphs with identical atomic counts of self-returning walks: Isocodal graphs
inferred← citeshttps://doi.org/10.1007/bf01164201openalex-snapshot
Recurrence relationships for the computation of the number of Kekul� structures
inferred← citeshttps://doi.org/10.1007/bf01164452openalex-snapshot
Chemical graphs with degenerate topological indices based on information on distances
inferred← citeshttps://doi.org/10.1007/bf01164464openalex-snapshot
Degeneracy of some matrix graph invariants
inferred← citeshttps://doi.org/10.1007/bf01164642openalex-snapshot
Design of topological indices. Part 4. Reciprocal distance matrix, related local vertex invariants and topological indices
inferred← citeshttps://doi.org/10.1007/bf01164854openalex-snapshot
Graph-theoretical interpretation of Ugi's concept of the reaction network
inferred← citeshttps://doi.org/10.1007/bf01165149openalex-snapshot
Graphs of unbranched hexagonal systems with equal values of the wiener index and different numbers of rings
inferred← citeshttps://doi.org/10.1007/bf01165926openalex-snapshot
Linear notation for benzenoid aromatic hydrocarbons. Molecular similarity based on notation similarity
inferred← citeshttps://doi.org/10.1007/bf01170012openalex-snapshot
Optimal characterization of structure for prediction of properties
inferred← citeshttps://doi.org/10.1007/bf01172931openalex-snapshot
Topological atomic indices and the electronic charges in alkanes
inferred← citeshttps://doi.org/10.1007/bf01199284openalex-snapshot
Computer generation of chemical structures from known fragments
inferred← citeshttps://doi.org/10.1007/bf01200826openalex-snapshot
Predicting properties of molecules using graph invariants
inferred← citeshttps://doi.org/10.1007/bf01205338openalex-snapshot
A new approach for devising local graph invariants: Derived topological indices with low degeneracy and good correlation ability
inferred← citeshttps://doi.org/10.1007/bf01207333openalex-snapshot
Computer generation of chemical structures from known fragments
inferred← citeshttps://doi.org/10.1007/bf02262851openalex-snapshot
Structure-activity study of antiepilepticN-aryl-isoxazolecarboxamides/N-isoxazolylbenzamide analogs using Wiener's topological index
inferred← citeshttps://doi.org/10.1007/bf02832435openalex-snapshot
QSPR between physical-chemical properties and molecule parameters of alkanes
inferred← citeshttps://doi.org/10.1007/bf02838360openalex-snapshot
Novel distance-related matrix index and QSPR research for thermodynamics of methyl halides
inferred← citeshttps://doi.org/10.1007/bf02873628openalex-snapshot
Molecular structures of organoelement compounds and their representation as labeled molecular hypergraphs
inferred← citeshttps://doi.org/10.1007/bfb0051444openalex-snapshot
Some formal properties of the kinetics of pentacoordinate stereoisomerizations
inferred← citeshttps://doi.org/10.1007/s00044-007-9006-yopenalex-snapshot
Topochemical models for the prediction of poly(ADP-ribose) polymerase inhibitory activity of indole-1-ones
inferred← citeshttps://doi.org/10.1007/s00521-024-10116-2openalex-snapshot
Formulation of Twin graph labelings
inferred← citeshttps://doi.org/10.1007/s00894-004-0215-8openalex-snapshot
Predicting anti-HIV activity of 2,3-diaryl-1,3-thiazolidin-4-ones: computational approach using reformed eccentric connectivity index
inferred← citeshttps://doi.org/10.1007/s00894-005-0276-3openalex-snapshot
Topochemical models for prediction of cyclin-dependent kinase 2 inhibitory activity of indole-2-ones
inferred← citeshttps://doi.org/10.1007/s00894-014-2310-9openalex-snapshot
Computational evaluation of factors governing catalytic 2-keto acid decarboxylation
inferred← citeshttps://doi.org/10.1007/s10618-024-01061-8openalex-snapshot
ArcMatch: high-performance subgraph matching for labeled graphs by exploiting edge domains
inferred← citeshttps://doi.org/10.1007/s10910-005-9036-yopenalex-snapshot
Application of Graph Theory: Prediction of Cytosolic Phospholipase A2 Inhibitory Activity of Propan-2-ones
inferred← citeshttps://doi.org/10.1007/s10910-006-9149-yopenalex-snapshot
Application of graph theory: Models for prediction of carbonic anhydrase inhibitory activity of sulfonamides
inferred← citeshttps://doi.org/10.1007/s10910-018-0956-8openalex-snapshot
Distance-based topological indices of nanosheets, nanotubes and nanotori of $$\hbox {SiO}_2$$ SiO 2
inferred← citeshttps://doi.org/10.1007/s10910-020-01202-6openalex-snapshot
Comparative study on structural sensitivity of eigenvalue–based molecular descriptors
inferred← citeshttps://doi.org/10.1007/s10910-022-01338-7openalex-snapshot
Persistence and stability of a class of kinetic compartmental models
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/s10910-024-01642-4openalex-snapshot
Graph realization of sets of integers
inferred← citeshttps://doi.org/10.1007/s10953-026-01634-9openalex-snapshot
Elucidation of Molecular Interactions of Systems Comprising 1-Butyl-3-Methylimidazolium Bromide, Gamma-Valerolactone, and Alkyl Cellosolves: Graph and Prigogine–Flory–Patterson Theory
inferred← citeshttps://doi.org/10.1007/s11094-006-0212-6openalex-snapshot
Topochemical models for predicting the activity of α,γ-diketo acids as inhibitors of the hepatitis c virus NS5B RNA-dependent RNA polymerase
inferred← citeshttps://doi.org/10.1007/s11094-007-0031-4openalex-snapshot
Prediction of the agonist allosteric enhancer activity of thiophenes with respect to human A1 adenosine receptors using topological indices
inferred← citeshttps://doi.org/10.1007/s11227-024-06440-yopenalex-snapshot
NM-polynomial-based topological indices and graph entropies of porphyrazine
inferred← citeshttps://doi.org/10.1007/s11227-026-08347-2openalex-snapshot
Mathematical quantification of nanostructures using degree-based reduced reverse indices
inferred← citeshttps://doi.org/10.1007/s11253-025-02432-0openalex-snapshot
Domination Numbers on an Octagonal Chain and an Octagonal Grid
inferred← citeshttps://doi.org/10.1007/s11696-017-0215-7openalex-snapshot
SCRAMBLE’N’GAMBLE: a tool for fast and facile generation of random data for statistical evaluation of QSAR models
inferred← citeshttps://doi.org/10.1007/s11696-023-03143-1openalex-snapshot
The study of curve fitting models to analyze some degree-based topological indices of certain anti-cancer treatment
inferred← citeshttps://doi.org/10.1007/s11696-025-04173-7openalex-snapshot
On analysis of two-dimensional nickel-based organometallic network via statistical method
inferred← citeshttps://doi.org/10.1007/s11696-025-04201-6openalex-snapshot
Comparative analysis of prediction models for the energetic properties of the trigonal triphenylenoid family using neighborhood degree-based topological descriptors and entropy measures
inferred← citeshttps://doi.org/10.1007/s11696-025-04221-2openalex-snapshot
A comprehensive topological and statistical investigation of entropy in triniobium compounds
inferred← citeshttps://doi.org/10.1007/s11696-025-04465-yopenalex-snapshot
Exploring the degree based topological indices through M-polynomial and entropy measures of porous graphitic framework via logarithmic regression analysis
inferred← citeshttps://doi.org/10.1007/s11696-025-04468-9openalex-snapshot
Comparative analysis of planar octahedron molecular structure via Zagreb connection indices
inferred← citeshttps://doi.org/10.1007/s11696-025-04500-yopenalex-snapshot
From graph invariants to material insights: analytic investigation of MOF lattices
inferred← citeshttps://doi.org/10.1007/s11696-026-05480-3openalex-snapshot
A QSPR and predictive modeling of antidepressant drugs through the adjacency spectrums
inferred← citeshttps://doi.org/10.1007/s11696-026-05510-0openalex-snapshot
Degree-based topological co-indices for QSPR modelling of benzenoid hydrocarbons: a comparative computational study
inferred← citeshttps://doi.org/10.1007/s11814-023-1484-1openalex-snapshot
Critical review on graph theory: Estimation of thermodynamic properties of liquid mixtures
inferred← citeshttps://doi.org/10.1007/s12046-023-02164-6openalex-snapshot
Application of acyclic coloring in wavelength assignment problem for butterfly and Beneš network
inferred← citeshttps://doi.org/10.1007/s12633-024-03119-0openalex-snapshot
Face Index of Silicon Carbide Structures: An Alternative Approach
inferred← citeshttps://doi.org/10.1007/s41468-023-00127-8openalex-snapshot
GIST: distributed training for large-scale graph convolutional networks
inferred← citeshttps://doi.org/10.1016/0003-2670(95)00359-2openalex-snapshot
A new topological index for the Changchun Institute of Applied Chemistry 13C NMR information system
inferred← citeshttps://doi.org/10.1016/0022-2860(90)80369-uopenalex-snapshot
2 and 3 dimensional structure search to solve spectroscopic problems in industry
inferred← citeshttps://doi.org/10.1016/0166-1280(91)85177-9openalex-snapshot
Current status of isomer enumeration of practical benzenoids
inferred← citeshttps://doi.org/10.1016/0166-1280(91)85273-aopenalex-snapshot
The reduced graph model revisited
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)85048-4openalex-snapshot
Prolog representation of molecular structures and pattern recognition
inferred← citeshttps://doi.org/10.1016/0166-1280(94)04072-zopenalex-snapshot
A rationale for the topological approach to chemistry
inferred← citeshttps://doi.org/10.1016/0166-1280(94)04081-3openalex-snapshot
Topological order in molecules 1. Molecular branching revisited
inferred← citeshttps://doi.org/10.1016/0166-218x(88)90022-4openalex-snapshot
The challenge of characterizing branching in molecular species
inferred← citeshttps://doi.org/10.1016/0166-218x(92)90292-iopenalex-snapshot
Two metrics in a graph theory modeling of organic chemistry
inferred← citeshttps://doi.org/10.1016/0169-7439(89)80064-4openalex-snapshot
Evaluation of the molecular similarity and property prediction for QSAR purposes
inferred← citeshttps://doi.org/10.1016/0898-1221(88)90216-7openalex-snapshot
Graph codes and a definition of structural similarity
inferred← citeshttps://doi.org/10.1016/0898-5529(88)90005-xopenalex-snapshot
Reaction planning: Computer-aided reaction design
inferred← citeshttps://doi.org/10.1016/0898-5529(90)90071-fopenalex-snapshot
The generation of reaction networks with RAIN. 2. Resonance structures and tautomerism
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00069-6openalex-snapshot
Electron Localization-Delocalization Matrices (LDMs)
inferred← citeshttps://doi.org/10.1016/b978-0-443-36474-7.00009-0openalex-snapshot
Chemical language models for chemical toxicity and ecotoxicity prediction
inferred← citeshttps://doi.org/10.1016/b978-044488002-4/50040-3openalex-snapshot
10.1016/b978-044488002-4/50040-3
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50012-3openalex-snapshot
Mixed Higher-Order Connectivity-Pseudoconnectivity Terms
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50017-2openalex-snapshot
Say it With Numbers
inferred← citeshttps://doi.org/10.1016/j.amc.2021.126748openalex-snapshot
Topological indices based on 2- or 3-eccentricity to predict anti-HIV activity
inferred← citeshttps://doi.org/10.1016/j.asej.2023.102539openalex-snapshot
Estimation of the physiochemical characteristics of an antibiotic drug using M-polynomial indices
inferred← citeshttps://doi.org/10.1016/j.asej.2024.102938openalex-snapshot
Extremal graph of super line graph operation via generalized Randić index
inferred← citeshttps://doi.org/10.1016/j.asej.2026.104447openalex-snapshot
Molecular descriptors and multi-criteria decision-making approaches in cancer drug design
inferred← citeshttps://doi.org/10.1016/j.asoc.2024.111642openalex-snapshot
Topological numbers of fuzzy soft graphs and their applications in globalizing the world by mutual trade
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.04.012openalex-snapshot
Topological models for prediction of anti-inflammatory activity of N-arylanthranilic acids
inferred← citeshttps://doi.org/10.1016/j.chaos.2024.115074openalex-snapshot
On the largest eigenvalue of extended eccentric matrix
inferred← citeshttps://doi.org/10.1016/j.chemolab.2025.105590openalex-snapshot
Modeling and statistical analysis of cancer drugs using M-polynomial indices for their characteristics
inferred← citeshttps://doi.org/10.1016/j.coche.2022.100840openalex-snapshot
Featurizing chemistry for machine learning — methods and a coded example
inferred← citeshttps://doi.org/10.1016/j.commatsci.2017.03.003openalex-snapshot
Local equilibrium configurations and minimum energy path of carbon nanotubes with Stone-Wales defects and their related pentagon-heptagon lattice defects
inferred← citeshttps://doi.org/10.1016/j.comptc.2017.11.018openalex-snapshot
Molecules as networks: A localization-delocalization matrices approach
inferred← citeshttps://doi.org/10.1016/j.comptc.2025.115290openalex-snapshot
Yet another series of correlations based on harmonic oscillator model of aromaticity (HOMA).
inferred← citeshttps://doi.org/10.1016/j.dam.2025.04.028openalex-snapshot
The expected values for the Kirchhoff indices in the random hexagonal-quadrilateral chain and its spiro chain
inferred← citeshttps://doi.org/10.1016/j.dche.2021.100009openalex-snapshot
A review of automated and data-driven approaches for pathway determination and reaction monitoring in complex chemical systems
inferred← citeshttps://doi.org/10.1016/j.ejps.2004.10.013openalex-snapshot
Application of graph theory: prediction of glycogen synthase kinase-3 β inhibitory activity of thiadiazolidinones as potential drugs for the treatment of Alzheimer's disease
inferred← citeshttps://doi.org/10.1016/j.flatc.2023.100567openalex-snapshot
Ball Pivoting Algorithm and discrete gaussian curvature: A direct way to curved nanographene circularly polarized luminescence spectral simulation
inferred← citeshttps://doi.org/10.1016/j.fluid.2022.113648openalex-snapshot
Prediction of viscosity of biomass-based molecules using atom modules and modularity as descriptors in neural network models
inferred← citeshttps://doi.org/10.1016/j.fuel.2013.06.055openalex-snapshot
Hexadecane mechanisms: Comparison of hand-generated and automatically generated with pathways
inferred← citeshttps://doi.org/10.1016/j.heliyon.2024.e37459openalex-snapshot
Data-driven approaches to study the spectral properties of chemical structures
inferred← citeshttps://doi.org/10.1016/j.hydromet.2026.106789openalex-snapshot
Recovery of rare earth elements from nitrophosphoric acid liquors: Part 2 – REE complexation in nitrophosphoric acid liquors – Thermodynamic and molecular dynamic simulation
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2006.05.042openalex-snapshot
Topochemical models for the prediction of permeability through blood–brain barrier
inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116521openalex-snapshot
Graph theory-based exploration of structure and dynamics of surface organometallic catalysis
inferred← citeshttps://doi.org/10.1016/j.jct.2026.107710openalex-snapshot
Analysis of excess molar volume of multicomponent systems comprising 1-hexyl-3-methylimidazolium bromide, gamma-valerolactone and 2-alkoxyethanols: Experimental and theoretical approach
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.jmgm.2006.02.004openalex-snapshot
Prediction of h5-HT2A receptor antagonistic activity of arylindoles: Computational approach using topochemical descriptors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.09.005openalex-snapshot
Highly correlating distance/connectivity-based topological indices
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108917openalex-snapshot
Molecular networks via reduced reverse degree approach
inferred← citeshttps://doi.org/10.1016/j.jmgm.2026.109546openalex-snapshot
Closed-form connection-number-based topological indices for porphyrazine and tetrakis-porphyrazine networks
inferred← citeshttps://doi.org/10.1016/j.jtbi.2005.10.017openalex-snapshot
tRNA structure from a graph and quantum theoretical perspective
inferred← citeshttps://doi.org/10.1016/j.laa.2011.12.004openalex-snapshot
Iterative methods for low rank approximation of graph similarity matrices
inferred← citeshttps://doi.org/10.1016/j.laa.2021.05.019openalex-snapshot
Fourier decompositions of graphs with symmetries and equitable partitions
inferred← citeshttps://doi.org/10.1016/j.microc.2026.117252openalex-snapshot
Structural modeling and machine learning-enhanced QSPR analysis of CAD-related and cardiovascular therapy drugs using topological descriptors
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.123268openalex-snapshot
Vibrationally resolved deep–red circularly polarised luminescence spectra of C70 derivative through Gaussian curvature analysis of ground and excited states
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.123461openalex-snapshot
Thermodynamic and molecular simulation analysis of molecular interactions between methyl 2–hydroxyisobutyrate + water or n–alkanol (C1–C2) mixtures
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124534openalex-snapshot
Studies on thermodynamics properties of binary mixtures of amyl acetate with propanol at T = 298.15 K to 318.15 K
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125467openalex-snapshot
Thermophysical properties of binary mixtures of pentyl acetate with butanol at 298.15 K to 318.15 K: PFP theory, FTB model, and Graph theoretical approach
inferred← citeshttps://doi.org/10.1016/j.neucom.2020.12.061openalex-snapshot
AEGCN: An Autoencoder-Constrained Graph Convolutional Network
inferred← citeshttps://doi.org/10.1016/j.nexres.2025.100866openalex-snapshot
Atrial fibrillation drug structural analysis and predictive modeling employing machine learning methods
inferred← citeshttps://doi.org/10.1016/j.patcog.2025.112044openalex-snapshot
Uncertainty-aware efficient subgraph isomorphism using graph topology
inferred← citeshttps://doi.org/10.1016/j.patter.2020.100052openalex-snapshot
Integrated Value of Influence: An Integrative Method for the Identification of the Most Influential Nodes within Networks
inferred← citeshttps://doi.org/10.1016/j.rico.2024.100392openalex-snapshot
Analysing spectral parameters of decane—A graph theoretical perspective
inferred← citeshttps://doi.org/10.1016/j.rineng.2025.106506openalex-snapshot
Steiner eccentricity: Predictions and applications
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/j.talanta.2004.02.030openalex-snapshot
Human serum albumen enhanced resonance light scattering of dyes
inferred← citeshttps://doi.org/10.1016/j.tca.2011.08.024openalex-snapshot
QSPR study of standard absolute entropies for gaseous organic compounds using novel molecular connectivity indexes and Ring parameter
inferred← citeshttps://doi.org/10.1016/j.tcs.2024.114651openalex-snapshot
SDD Spectral Radii and SDD Energies of Graph Operations
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.01.052openalex-snapshot
Predicting anti-HIV activity of phenethylthiazolethiourea (PETT) analogs: computational approach using Wiener's topochemical index
inferred← citeshttps://doi.org/10.1016/j.theochem.2005.01.024openalex-snapshot
Eigenvectors of weighted graphs: a supplement to Sachs' theorem
inferred← citeshttps://doi.org/10.1016/j.trac.2005.01.015openalex-snapshot
Molecular connectivity as a relevant new tool for predicting analytical behavior: A survey of chemiluminescence and chromatography
inferred← citeshttps://doi.org/10.1016/s0003-2670(00)83597-7openalex-snapshot
Structure/property correlation of substituted compounds based on graph theory
inferred← citeshttps://doi.org/10.1016/s0009-2614(03)00276-8openalex-snapshot
Structural dependence of thermodynamic stability of unbranched catacondensed benzenoid hydrocarbons
inferred← citeshttps://doi.org/10.1016/s0012-365x(00)00290-9openalex-snapshot
Application of hypergraph theory in chemistry
inferred← citeshttps://doi.org/10.1016/s0065-2725(08)60196-8openalex-snapshot
The Concept of Aromaticity in Heterocyclic Chemistry
inferred← citeshttps://doi.org/10.1016/s0097-8485(99)00095-9openalex-snapshot
Maximum topological distances based indices as molecular descriptors for QSPR
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(03)00425-1openalex-snapshot
Topological models for prediction of antihypertensive activity of substituted benzylimidazoles
inferred← citeshttps://doi.org/10.1016/s0167-5060(08)70380-7openalex-snapshot
Solved and Unsolved Problems in Chemical Graph Theory
inferred← citeshttps://doi.org/10.1016/s0169-7439(01)00146-0openalex-snapshot
Molecular structural vector description and retention index of polycyclic aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1016/s1461-5347(99)00214-xopenalex-snapshot
Quantitative structure–property relationships in pharmaceutical research – Part 1
inferred← citeshttps://doi.org/10.1016/s1461-5347(99)00215-1openalex-snapshot
Quantitative structure–property relationships in pharmaceutical research – Part 2
inferred← citeshttps://doi.org/10.1016/s1476-9271(02)00081-6openalex-snapshot
Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit
inferred← citeshttps://doi.org/10.1017/pds.2025.10132openalex-snapshot
Design logic visualizations as boundary objects in design
inferred← citeshttps://doi.org/10.1021/acs.chemrev.4c00297openalex-snapshot
The Analysis of Electron Densities: From Basics to Emergent Applications
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01076openalex-snapshot
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01551openalex-snapshot
HOMA Index Establishes Similarity to a Reference Molecule
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00002openalex-snapshot
From Quantum Chemistry to Networks in Biology: A Graph Spectral Approach to Protein Structure Analyses
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00454openalex-snapshot
Dynamic Community Detection Decouples Multiple Time Scale Behavior of Complex Chemical Systems
showing the first 200 of 438 · page through all 438
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.