On the public citation graph
Approach to Estimation and Prediction for Normal Boiling Point (NBP) of Alkanes Based on a Novel Molecular Distance-Edge (MDE) Vector, λ
0 signed · 115 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known work and none has been retracted — and get a dated CiteStamped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/10.1016/0165-9936(93)87051-xopenalex-snapshot
Chemical pattern recognition and multivariate analysis for QSAR studies
inferredcites →https://doi.org/10.1021/ci00005a005openalex-snapshot
Comparative study of molecular descriptors derived from the distance matrix
inferredcites →https://doi.org/10.1021/ci00014a015openalex-snapshot
Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques
inferredcites →https://doi.org/10.1021/ci00020a032openalex-snapshot
Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure
inferredcites →https://doi.org/10.1021/ci00023a010openalex-snapshot
Prediction of Normal Boiling Points of Hydrocarbons from Molecular Structure
inferredcites →https://doi.org/10.1021/ci00027a008openalex-snapshot
Prediction of Normal Boiling Points for a Diverse Set of Industrially Important Organic Compounds from Molecular Structure
inferredcites →https://doi.org/10.1021/ci00028a014openalex-snapshot
Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information
inferredcites →https://doi.org/10.1021/ci00047a033openalex-snapshot
Applications of graph theory in chemistry
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/ja00191a075openalex-snapshot
Graph theoretical approach to carbon-13 chemical shift sum in alkanes
inferredcites →https://doi.org/10.1021/ja00221a015openalex-snapshot
Molecular modeling of the physical properties of alkanes
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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/cem.1261openalex-snapshot
Quantitative structure–activity relationship (QSAR) of artemisinin: the development of predictive in vivo antimalarial activity models
inferred← citeshttps://doi.org/10.1002/cem.1283openalex-snapshot
A knowledge‐based approach for screening chemical structures within de novo molecular evolution
inferred← citeshttps://doi.org/10.1002/cphc.202300548openalex-snapshot
Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?
inferred← citeshttps://doi.org/10.1002/jccs.200000061openalex-snapshot
Molecular Distance‐Edge Vector (μ) and Chromatographic Retention Index of Alkanes
inferred← citeshttps://doi.org/10.1002/jccs.200100041openalex-snapshot
A Novel MHDV Descriptor for Dipeptide QSAR Studies
inferred← citeshttps://doi.org/10.1002/jccs.200100137openalex-snapshot
On Structural Parameterization and Molecular Modeling of Peptide Analogues by Molecular Electronegativity Edge Vector (VMEE): Estimation and Prediction for Biological Activity of Dipeptides
inferred← citeshttps://doi.org/10.1002/jssc.200301592openalex-snapshot
Prediction of chromatographic relative retention time of polychlorinated biphenyls from the molecular electronegativity distance vector
inferred← citeshttps://doi.org/10.1002/psc.892openalex-snapshot
Three‐dimensional holograph vector of atomic interaction field (3D‐HoVAIF): a novel rotation–translation invariant 3D structure descriptor and its applications to peptides
inferred← citeshttps://doi.org/10.1002/qsar.200430876openalex-snapshot
QSAR of Human Steroid 5α‐Reductase Inhibitors: Where are the differences between isoenzyme type 1 and 2?
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.200510200openalex-snapshot
CNS Permeability of Drugs Predicted by a Decision Tree
inferred← citeshttps://doi.org/10.1002/qsar.200630159openalex-snapshot
QSPR Studies for Solubility Parameter by Means of Genetic Algorithm‐Based Multivariate Linear Regression and Generalized Regression Neural Network
inferred← citeshttps://doi.org/10.1002/qsar.200630167openalex-snapshot
Applying Novel Three‐Dimensional Holographic Vector of Atomic Interaction Field to QSAR Studies of Artemisinin Derivatives
inferred← citeshttps://doi.org/10.1007/978-981-10-3791-7_10openalex-snapshot
Surrogates for Biodiesel: Review and Challenges
inferred← citeshttps://doi.org/10.1007/s00044-012-0367-5openalex-snapshot
Challenges in docking 2′-hydroxy and 2′,4′-dihydroxychalcones into the binding site of ALR2
inferred← citeshttps://doi.org/10.1007/s00044-015-1378-9openalex-snapshot
Antimicrobial evaluation, QSAR and docking studies of amide-linked 1,4-disubstituted 1,2,3-bistriazoles
inferred← citeshttps://doi.org/10.1007/s00044-016-1528-8openalex-snapshot
Convenient synthesis, anticancer evaluation and QSAR studies of some thiazole tethered indenopyrazoles
inferred← citeshttps://doi.org/10.1007/s00894-007-0195-6openalex-snapshot
Semi-empirical topological method for prediction of the gas chromatographic relative retention times of Polybrominated Diphenyl Ethers (PBDEs)
inferred← citeshttps://doi.org/10.1007/s10910-025-01767-0openalex-snapshot
Hitting time index of trees
inferred← citeshttps://doi.org/10.1007/s11030-009-9145-9openalex-snapshot
QSPR model for bioconcentration factors of nonpolar organic compounds using molecular electronegativity distance vector descriptors
inferred← citeshttps://doi.org/10.1007/s11356-017-8903-yopenalex-snapshot
QSAR modeling for predicting mutagenic toxicity of diverse chemicals for regulatory purposes
inferred← citeshttps://doi.org/10.1007/s11427-007-0080-7openalex-snapshot
Structural parameterization and functional prediction of antigenic polypeptome sequences with biological activity through quantitative sequence-activity models (QSAM) by molecular electronegativity edge-distance vector (VMED)
inferred← citeshttps://doi.org/10.1007/s11434-006-0524-7openalex-snapshot
A new descriptor of amino acids based on the three-dimensional vector of atomic interaction field
inferred← citeshttps://doi.org/10.1007/s11434-006-1557-7openalex-snapshot
Three-dimensional holographic vector of atomic interaction field for quantitative structure-retention relationship of purine bases
inferred← citeshttps://doi.org/10.1007/s11458-005-0009-2openalex-snapshot
Relativity Study on Topological Index of Methylalkane Structures and Chromatographic Retention Index
inferred← citeshttps://doi.org/10.1007/s11458-007-0012-xopenalex-snapshot
A new two-dimensional approach to quantitative prediction for collision cross-section of more than 110 singly protonated peptides by a novel moecular electronegativity-interaction vector through quantitative structure-spectrometry relationship studies
inferred← citeshttps://doi.org/10.1007/s13721-018-0168-yopenalex-snapshot
In silico modelling of quantitative structure–activity relationship of multi-target anticancer compounds on k-562 cell line
inferred← citeshttps://doi.org/10.1007/s13721-021-00326-2openalex-snapshot
A machine learning regression model for the screening and design of potential SARS-CoV-2 protease inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.03.043openalex-snapshot
Determination of hERG channel blockers using a decision tree
inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.04.007openalex-snapshot
Three-dimensional vector of pharmacophore atomic interaction and its applications to stereoisomeric description
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2007.08.009openalex-snapshot
A new predictive model for the bioconcentration factors of polychlorinated biphenyls (PCBs) based on the molecular electronegativity distance vector (MEDV)
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2020.127217openalex-snapshot
QSAR modeling the toxicity of pesticides against Americamysis bahia
inferred← citeshttps://doi.org/10.1016/j.chroma.2026.467218openalex-snapshot
Stereo-sensitive modelling of gas chromatographic retention indices of mono-cycloalkanes in jet fuel range
inferred← citeshttps://doi.org/10.1016/j.commatsci.2006.11.010openalex-snapshot
QSPR analysis for intrinsic viscosity of polymer solutions by means of GA-MLR and RBFNN
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2020.110352openalex-snapshot
Modeling pesticides toxicity to Sheepshead minnow using QSAR
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.07.050openalex-snapshot
Analysis of physico-chemical properties of substrates of ABC and MFS multidrug transporters of pathogenic Candida albicans
inferred← citeshttps://doi.org/10.1016/j.fuel.2024.131619openalex-snapshot
Prediction of Hydrocarbons Ignition Performances Using Machine Learning Modeling
inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.03.003openalex-snapshot
Generation of QSAR sets with a self-organizing map
inferred← citeshttps://doi.org/10.1016/j.jmgm.2005.03.003openalex-snapshot
Assessing the reliability of a QSAR model's predictions
inferred← citeshttps://doi.org/10.1016/j.jmgm.2005.08.005openalex-snapshot
Quantitative study of electrostatic and steric effects on physicochemical property and biological activity
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.12.004openalex-snapshot
Scores of generalized base properties for quantitative sequence-activity modelings for E. coli promoters based on support vector machine
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.06.006openalex-snapshot
Prediction of blood–brain partitioning: A model based on molecular electronegativity distance vector descriptors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2015.11.011openalex-snapshot
Numeric promoter description – A comparative view on concepts and general application
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.11.016openalex-snapshot
Variable selection via nonconcave penalty function in structure–boiling points correlations
inferred← citeshttps://doi.org/10.1016/j.toxlet.2014.10.009openalex-snapshot
Screening of a chemical library reveals novel PXR-activating pharmacologic compounds
inferred← citeshttps://doi.org/10.1016/s0166-1280(03)00386-5openalex-snapshot
Molecular graph center, a novel approach to locate the center of a molecule and a new centric index
inferred← citeshttps://doi.org/10.1016/s0166-1280(98)00492-8openalex-snapshot
Comparison of three different QSAR/QSPR generation techniques
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00404-2openalex-snapshot
Comparison of different data set screening methods for use in QSAR/QSPR generation studies
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/s1093-3263(02)00187-0openalex-snapshot
Prediction of dihydrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis
inferred← citeshttps://doi.org/10.1021/acs.cgd.8b00335openalex-snapshot
Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers
inferred← citeshttps://doi.org/10.1021/acs.jafc.4c08527openalex-snapshot
Structural Similarity, Activity, and Toxicity of Mycotoxins: Combining Insights from Unsupervised and Supervised Machine Learning Algorithms
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01272openalex-snapshot
Least Absolute Shrinkage and Selection Operator-Based Prediction of the Binding Constant of p-Sulfonatocalix[6]/[8]arenes with Alkaloids
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.2c00227openalex-snapshot
Predicting Bile and Lipid Interaction for Drug Substances
inferred← citeshttps://doi.org/10.1021/ci050022aopenalex-snapshot
Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance
inferred← citeshttps://doi.org/10.1021/ci060064eopenalex-snapshot
Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions
inferred← citeshttps://doi.org/10.1021/ci400267hopenalex-snapshot
Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models
inferred← citeshttps://doi.org/10.1021/ci8001414openalex-snapshot
Assessing How Well a Modeling Protocol Captures a Structure−Activity Landscape
inferred← citeshttps://doi.org/10.1021/ci9903206openalex-snapshot
Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
inferred← citeshttps://doi.org/10.1021/cm980674xopenalex-snapshot
Prediction of the Clearing Temperatures of a Series of Liquid Crystals from Molecular Structure
inferred← citeshttps://doi.org/10.1021/je501093vopenalex-snapshot
Quantitative Structure–Property Relationship Predictions of Critical Properties and Acentric Factors for Pure Compounds
inferred← citeshttps://doi.org/10.1021/jm020269oopenalex-snapshot
QSAR and Classification of Murine and Human Soluble Epoxide Hydrolase Inhibition by Urea-Like Compounds
inferred← citeshttps://doi.org/10.1021/jp070660ropenalex-snapshot
Predicting Thermodynamic Properties with a Novel Semiempirical Topological Descriptor and Path Numbers
inferred← citeshttps://doi.org/10.1021/tx020077wopenalex-snapshot
Development of Binary Classification of Structural Chromosome Aberrations for a Diverse Set of Organic Compounds from Molecular Structure
inferred← citeshttps://doi.org/10.1039/d3cp01428bopenalex-snapshot
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models
inferred← citeshttps://doi.org/10.1039/d3gc03109hopenalex-snapshot
Ecotoxicological risk assessment of pesticides against different aquatic and terrestrial species: using mechanistic QSTR and iQSTTR modelling approaches to fill the toxicity data gap
inferred← citeshttps://doi.org/10.1080/02678292.2016.1155769openalex-snapshot
Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines
inferred← citeshttps://doi.org/10.1080/10629360903278735openalex-snapshot
Quantitative structure–activity relationship (QSAR) for insecticides: development of predictive in vivo insecticide activity models
inferred← citeshttps://doi.org/10.1080/10643389.2014.955627openalex-snapshot
Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review
inferred← citeshttps://doi.org/10.1080/10659360500037115openalex-snapshot
Highly diverse, massive organic data as explored by a composite QSPR strategy: An advanced study of boiling point
inferred← citeshttps://doi.org/10.1080/15376510701857353openalex-snapshot
A Hierarchical Clustering Methodology for the Estimation of Toxicity
inferred← citeshttps://doi.org/10.1080/23312009.2018.1432520openalex-snapshot
Insilico modelling of quantitative structure–activity relationship of pGI50 anticancer compounds on K-562 cell line
inferred← citeshttps://doi.org/10.1109/tcbb.2020.2998948openalex-snapshot
Generic Context-Aware Group Contributions
inferred← citeshttps://doi.org/10.1146/annurev-chembioeng-101220-102232openalex-snapshot
Data Science in Chemical Engineering: Applications to Molecular Science
inferred← citeshttps://doi.org/10.1177/1087057110380743openalex-snapshot
Development of Predictive Quantitative Structure-Activity Relationship Models of Epipodophyllotoxin Derivatives
inferred← citeshttps://doi.org/10.1186/s13065-023-00991-6openalex-snapshot
A study of the interaction space of two lactate dehydrogenase isoforms (LDHA and LDHB) and some of their inhibitors using proteochemometrics modeling
inferred← citeshttps://doi.org/10.1186/s13321-024-00873-6openalex-snapshot
Physicochemical modelling of the retention mechanism of temperature-responsive polymeric columns for HPLC through machine learning algorithms
inferred← citeshttps://doi.org/10.1360/982004-252openalex-snapshot
A novel molecular distance edge vector as applied to chemical modeling of quantitative structure-retention relationships: Various gas chromatographic retention behaviors of polychlorinated dibenzofurans on different polarity-varying stationary phases
inferred← citeshttps://doi.org/10.1360/csb2005-50-9-875openalex-snapshot
新分子距边矢量用于环境毒物多氯代二苯并呋喃的定量结构保留相关建模
inferred← citeshttps://doi.org/10.1360/csb2006-51-9-1016openalex-snapshot
三维全息原子场作用矢量用于嘌呤衍生物定量结构保留相关的研究
inferred← citeshttps://doi.org/10.1365/s10337-007-0362-zopenalex-snapshot
Modeling Quantitative Structure Property Relationships with a Semi-Empirical Topological Descriptor and Path Numbers
inferred← citeshttps://doi.org/10.1371/journal.pone.0319673openalex-snapshot
Enhancing ERα-targeted compound efficacy in breast cancer threapy with ExplainableAI and GeneticAlgorithm
inferred← citeshttps://doi.org/10.14233/ajchem.2024.31430openalex-snapshot
In silico Analysis of Antiviral Potential of New Coumarin Analogues against Coronavirus
inferred← citeshttps://doi.org/10.1897/01-363openalex-snapshot
Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point
inferred← citeshttps://doi.org/10.3390/antibiotics9050223openalex-snapshot
Antimicrobial Isoflavones and Derivatives from Erythrina (Fabaceae): Structure Activity Perspective (Sar & Qsar) on Experimental and Mined Values Against Staphylococcus aureus
inferred← citeshttps://doi.org/10.3390/ecsoc-25-11731openalex-snapshot
Quantitative Structure–Property Relationship for the Retention Index of Volatile and Semi-Volatile Compounds of Coffee
inferred← citeshttps://doi.org/10.3390/ijms25179390openalex-snapshot
Data-Driven Modelling of Substituted Pyrimidine and Uracil-Based Derivatives Validated with Newly Synthesized and Antiproliferative Evaluated Compounds
inferred← citeshttps://doi.org/10.3390/molecules24071444openalex-snapshot
MoleGear: A Java-Based Platform for Evolutionary De Novo Molecular Design
inferred← citeshttps://doi.org/10.3390/pharmaceutics14010062openalex-snapshot
Candidates for Repurposing as Anti-Virulence Agents Based on the Structural Profile Analysis of Microbial Collagenase Inhibitors
inferred← citeshttps://doi.org/10.3390/pharmaceutics14040832openalex-snapshot
An Explainable Supervised Machine Learning Model for Predicting Respiratory Toxicity of Chemicals Using Optimal Molecular Descriptors
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amm.44-47.1130openalex-snapshot
Feature Selection Method for Hydraulic System Faults Diagnosis Based on GA-PLS
inferred← citeshttps://doi.org/10.5006/c2019-13329openalex-snapshot
In-silico Model for Predicting the Corrosion Inhibition Efficiency of Steel Inhibitors
inferred← citeshttps://doi.org/10.6084/m9.figshare.23639916openalex-snapshot
Additional file 1 of A study of the interaction space of two lactate dehydrogenase isoforms (LDHA and LDHB) and some of their inhibitors using proteochemometrics modeling
inferred← citeshttps://doi.org/10.6084/m9.figshare.26737575openalex-snapshot
Additional file 1 of Physicochemical modelling of the retention mechanism of temperature-responsive polymeric columns for HPLC through machine learning algorithms
inferred← citeshttps://doi.org/10.6339/jds.2003.01(4).177openalex-snapshot
Boiling Points Predictions Study via Dimension Reduction Methods: SIR, PCR and PLSR
inferred← citeshttps://doi.org/10.70675/68e3d425z09c0z42cbz8ed6zbbd8069b6af7openalex-snapshot
Etude in vitro et in silico de l'extraction, modification chimique et assemblage de phospholipides pour la construction de nouvelles vésicules végétales : exemple de la caméline
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.