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Generalized molecular descriptors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Molecular Connectivity in Chemistry and Drug Research
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N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis
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Structural Relationship Study of Electrochemical Properties of the Nano Structures ofCis‐unsaturated Thiocrown Ethers and Their Supramolecular Complexes [X‐UT‐Y][La@C72(C6H3Cl2)] Non‐IPR Carbon Cage
inferred← citeshttps://doi.org/10.1080/15363831003782882openalex-snapshot
Theoretical and Quantitative Structural Relationships of the Electron Transfer and Electrochemical Properties ofCis-Unsaturated Thiocrown Ethers and Supramolecular Complexes [X-UT-Y]@[La2@C72(Adamantylidene Mono-Adducts)n] (n=0,1)
inferred← citeshttps://doi.org/10.1080/1536383x.2011.629761openalex-snapshot
Free Energies of Electron Transfer, Electron Transfer Kinetic Theoretical and Quantitative Structural Relationships and Electrochemical Properties Studies of Gadolinium Nitride Cluster Fullerenes Gd3N@Cnin [X-UT-Y][Gd3N@Cn](n = 80, 82, 84, 86 and 88) Supramolecular Complexes
inferred← citeshttps://doi.org/10.1080/15980316.2011.593911openalex-snapshot
Theoretical and quantitative structural relationships of the electrochemical properties of Cis -unsaturated thiocrown ethers and n-type material bulk-heterojunction polymer solar cells as supramolecular complexes [X-UT-Y]@R (R=PCBM, p -EHO-PCBM, and p -EHO-PCBA)
inferred← citeshttps://doi.org/10.1080/17460441.2017.1336157openalex-snapshot
The advancement of multidimensional QSAR for novel drug discovery - where are we headed?
inferred← citeshttps://doi.org/10.1080/19430892.2011.628587openalex-snapshot
Theoretical and Quantitative Structural Relationships Studies of Free Energies of Electron Transfer, Electron Transfer Kinetic, and Electrochemical Properties of Metal Nitride Cluster Fullerenes Y3N@C80Methano Mono Adduct Derivatives in [X-UT-V][Y3N@C80-[6,6]-Methanofullerene-R] (R = DEM, ex-TTF,…
inferred← citeshttps://doi.org/10.1093/bib/bbac428openalex-snapshot
Handcrafted versus non-handcrafted (self-supervised) features for the classification of antimicrobial peptides: complementary or redundant?
inferred← citeshttps://doi.org/10.1093/bib/bbad422openalex-snapshot
From intuition to AI: evolution of small molecule representations in drug discovery
inferred← citeshttps://doi.org/10.1111/j.1742-4658.2010.07711.xopenalex-snapshot
tomocomd‐camps and protein bilinear indices – novel bio‐macromolecular descriptors for protein research: I. Predicting protein stability effects of a complete set of alanine substitutions in the Arc repressor
inferred← citeshttps://doi.org/10.1134/s0022476618030393openalex-snapshot
Prediction of the Normal Boiling Points and Enthalpy of Vaporizations of Alcohols and Phenols Using Topological Indices
inferred← citeshttps://doi.org/10.1139/v09-109openalex-snapshot
QSPR studies on normal boiling points and molar refractivities of organic compounds by correlation-ranking-based PCR and PC–ANN analyses of new topological indices
inferred← citeshttps://doi.org/10.1142/s021798492550157xopenalex-snapshot
Exploring the potential of artificial neural networks in predicting physicochemical characteristics of anti-biofilm compounds from 2D and 3D structural information
inferred← citeshttps://doi.org/10.1155/jom/5501805openalex-snapshot
Exploring Graph Product Operations Through Eccentricity Connectivity Coindex: A Comprehensive QSPR Analysis of Octane Isomers
inferred← citeshttps://doi.org/10.11606/t.60.2018.tde-11102018-082601openalex-snapshot
Triagem de inibidores da enzima DHODH de Leishmania major em Asteraceae: estudos metabolômicos e da relação estrutura-atividade quantitativa (QSAR)
inferred← citeshttps://doi.org/10.1186/s12859-020-03588-1openalex-snapshot
2-D chemical structure image-based in silico model to predict agonist activity for androgen receptor
inferred← citeshttps://doi.org/10.1186/s13321-023-00777-xopenalex-snapshot
Continuous symmetry and chirality measures: approximate algorithms for large molecular structures
inferred← citeshttps://doi.org/10.1201/b18389openalex-snapshot
Graph-Theoretical Matrices in Chemistry
inferred← citeshttps://doi.org/10.1504/ijcbdd.2014.066540openalex-snapshot
Detour matrix-based adjacent path eccentric distance sum indices for QSAR/QSPR. Part I: development and evaluation
inferred← citeshttps://doi.org/10.1515/spma-2022-0171openalex-snapshot
Energy of a digraph with respect to a VDB topological index
inferred← citeshttps://doi.org/10.1517/17460441.2015.1083006openalex-snapshot
Quantitative structure–activity relationship: promising advances in drug discovery platforms
inferred← citeshttps://doi.org/10.17485/ijst/2016/v9i8/87901openalex-snapshot
Computer Assisted QSAR/QSPR Approaches – A Review
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3233624/v1openalex-snapshot
“Topological Stress” concept for quantizing chemical graph similarity scores
inferred← citeshttps://doi.org/10.22211/cejem/118858openalex-snapshot
Prediction of the Density of Energetic Co-crystals: a Way to Design High Performance Energetic Materials
inferred← citeshttps://doi.org/10.22211/cejem/131687openalex-snapshot
Estimation of the Detonation Pressure of Co-crystal Explosives through a Novel, Simple and Reliable Model
inferred← citeshttps://doi.org/10.2298/bg20130708dabicopenalex-snapshot
Utvrđivanje veze između strukture i retencije oksotiazolidina primenom multivarijantne analize
inferred← citeshttps://doi.org/10.2298/fil1609351bopenalex-snapshot
Upper and lower bounds for the mixed degree-Kirchhoff index
inferred← citeshttps://doi.org/10.2298/jsc201215006ropenalex-snapshot
Chemical applicability of Sombor indices
inferred← citeshttps://doi.org/10.2298/yjor240415050sopenalex-snapshot
On some extended energy of graphs and their applications
inferred← citeshttps://doi.org/10.29228/jrp.795openalex-snapshot
Machine learning based QSAR model for therapeutically active candidate drugs with thiazolidinedione (TZD) scaffold
inferred← citeshttps://doi.org/10.3390/80900687openalex-snapshot
Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds
inferred← citeshttps://doi.org/10.3390/91201124openalex-snapshot
Protein Quadratic Indices of the “Macromolecular Pseudograph’s α-Carbon Atom Adjacency Matrix”. 1. Prediction of Arc Repressor Alanine-mutant’s Stability
inferred← citeshttps://doi.org/10.3390/axioms13100658openalex-snapshot
Two-Matchings with Respect to the General Sum-Connectivity Index of Trees
inferred← citeshttps://doi.org/10.3390/ecsoc-9-01666openalex-snapshot
Bond, Bond-Type, and Total Linear Indices of the Non-Stochastic and Stochastic Edge Adjacency Matrix. 1. Theory and QSPR Studies
inferred← citeshttps://doi.org/10.3390/i4080512openalex-snapshot
Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs
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/ijms17060812openalex-snapshot
Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms
inferred← citeshttps://doi.org/10.3390/molecules25061292openalex-snapshot
QSPR/QSAR: State-of-Art, Weirdness, the Future
inferred← citeshttps://doi.org/10.3390/molecules27196772openalex-snapshot
On Some Topological Indices Defined via the Modified Sombor Matrix
inferred← citeshttps://doi.org/10.3390/sym14051022openalex-snapshot
New Versions of Locating Indices and Their Significance in Predicting the Physicochemical Properties of Benzenoid Hydrocarbons
inferred← citeshttps://doi.org/10.3390/sym15061202openalex-snapshot
Symmetry-Adapted Domination Indices: The Enhanced Domination Sigma Index and Its Applications in QSPR Studies of Octane and Its Isomers
inferred← citeshttps://doi.org/10.37256/cm.5120243419openalex-snapshot
Advancing Computational Insights: Domination Topological Indices of Polysaccharides Using Special Polynomials and QSPR Analysis
inferred← citeshttps://doi.org/10.3934/math.2024056openalex-snapshot
Unveiling novel eccentric neighborhood forgotten indices for graphs and gaph operations: A comprehensive exploration of boiling point prediction
inferred← citeshttps://doi.org/10.4018/978-1-4666-8136-1.ch004openalex-snapshot
Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors
inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch058openalex-snapshot
Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors
inferred← citeshttps://doi.org/10.46793/match.97-3.15826openalex-snapshot
Atom- and Bond-Deletion Laplacian Response Descriptors for Molecular Graphs
inferred← citeshttps://doi.org/10.5155/eurjchem.3.3.340-347.614openalex-snapshot
Theoretical free energies of electron transfer, electrochemical properties, electron transfer kinetic and quantitative structural relationships studies of alkynyldihydrofullerene in [X-UT-Y][R-C60–M+] supramolecular complexes
inferred← citeshttps://doi.org/10.5451/unibas-005676976openalex-snapshot
"In silico" prediction of drug transport across physiological barriers
inferred← citeshttps://doi.org/10.56578/atams020105openalex-snapshot
Neighbourhood Degree-Based Graph Descriptors: A Comprehensive Analysis of Connectivity Patterns in Diverse Graph Families and Their Applicapability
inferred← citeshttps://doi.org/10.5688/ajpe81346openalex-snapshot
Computer-Assisted Decision Support for Student Admissions Based on Their Predicted Academic Performance
inferred← citeshttps://doi.org/10.6084/m9.figshare.26638050openalex-snapshot
Additional file 1 of Continuous symmetry and chirality measures: approximate algorithms for large molecular structures
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.