On the public citation graph
Estimation of Mayr Electrophilicity with a Quantitative Structure–Property Relationship Approach Using Empirical and DFT Descriptors
0 signed · 74 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known work and none has been retracted — and get a dated CiteStamped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/10.1002/9783527628766openalex-snapshot
Molecular Descriptors for Chemoinformatics
inferredcites →https://doi.org/10.1002/anie.199409381openalex-snapshot
Scales of Nucleophilicity and Electrophilicity: A System for Ordering Polar Organic and Organometallic Reactions
inferredcites →https://doi.org/10.1002/jcc.540141112openalex-snapshot
General atomic and molecular electronic structure system
inferredcites →https://doi.org/10.1002/med.2610070404openalex-snapshot
Indexes of molecular shape from chemical graphs
inferredcites →https://doi.org/10.1002/qsar.200710119openalex-snapshot
The Integrated Use of Models for the Properties and Effects of Chemicals by means of a Structured Workflow
inferredcites →https://doi.org/10.1007/978-3-662-00784-6openalex-snapshot
Self-Organization and Associative Memory
inferredcites →https://doi.org/10.1007/bf00153759openalex-snapshot
Instance-Based Learning Algorithms
inferredcites →https://doi.org/10.1007/bf00533485openalex-snapshot
The influence of polarization functions on molecular orbital hydrogenation energies
inferredcites →https://doi.org/10.1007/s00894-007-0233-4openalex-snapshot
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
inferredcites →https://doi.org/10.1016/s0031-8914(34)90011-2openalex-snapshot
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
inferredcites →https://doi.org/10.1016/s0169-7439(01)00171-xopenalex-snapshot
JATOON: Java tools for neural networks
inferredcites →https://doi.org/10.1016/s0925-2312(02)00632-xopenalex-snapshot
Determination of the spread parameter in the Gaussian kernel for classification and regression
inferredcites →https://doi.org/10.1021/ac00220a013openalex-snapshot
Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies
inferredcites →https://doi.org/10.1021/ci010379oopenalex-snapshot
Neural Network Studies. 4. Introduction to Associative Neural Networks
inferredcites →https://doi.org/10.1021/ci980137xopenalex-snapshot
Metric Validation and the Receptor-Relevant Subspace Concept
inferredcites →https://doi.org/10.1021/cr078014bopenalex-snapshot
Update 1 of: Electrophilicity Index
inferredcites →https://doi.org/10.1021/cr100098nopenalex-snapshot
Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology
inferredcites →https://doi.org/10.1021/cr100149popenalex-snapshot
Update 2 of: Electrophilicity Index
inferredcites →https://doi.org/10.1021/ja00236a011openalex-snapshot
Hydrogen bonding as a probe of electron densities: limiting gas-phase nucleophilicities and electrophilicities of B and HX
inferredcites →https://doi.org/10.1021/ja010890yopenalex-snapshot
Reference Scales for the Characterization of Cationic Electrophiles and Neutral Nucleophiles ,
inferredcites →https://doi.org/10.1021/jo020121copenalex-snapshot
Electron-Withdrawing Substituents Decrease the Electrophilicity of the Carbonyl Carbon. An Investigation with the Aid of13C NMR Chemical Shifts, ν(CO) Frequency Values, Charge Densities, and Isodesmic Reactions To Interprete Substituent Effects on Reactivity
inferredcites →https://doi.org/10.1021/jo020255qopenalex-snapshot
Comparison between Experimental and Theoretical Scales of Electrophilicity in Benzhydryl Cations
inferredcites →https://doi.org/10.1021/jo030125xopenalex-snapshot
Global and Local Electrophilicity Patterns of Diazonium Ions and Their Reactivity toward π-Nucleophiles
inferredcites →https://doi.org/10.1021/tx100172xopenalex-snapshot
Prediction of Michael-Type Acceptor Reactivity toward Glutathione
inferredcites →https://doi.org/10.1063/1.1677527openalex-snapshot
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.464304openalex-snapshot
A new mixing of Hartree–Fock and local density-functional theories
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1073/pnas.95.20.11578openalex-snapshot
Reactivity of the HIV-1 nucleocapsid protein p7 zinc finger domains from the perspective of density-functional theory
inferredcites →https://doi.org/10.1080/10629360290002811openalex-snapshot
Charged partial surface area (CPSA) descriptors QSAR applications
inferredcites →https://doi.org/10.1109/tac.1974.1100705openalex-snapshot
A new look at the statistical model identification
inferredcites →https://doi.org/10.1110/ps.52601openalex-snapshot
Experimental determination and calculations of redox potential descriptors of compounds directed against retroviral zinc fingers: Implications for rational drug design
inferredcites →https://doi.org/10.1145/1656274.1656278openalex-snapshot
The WEKA data mining software
inferredcites →https://doi.org/10.1351/pac200577111807openalex-snapshot
Kinetics of electrophile-nucleophile combinations: A general approach to polar organic reactivity
inferredcites →https://doi.org/10.2174/138161206777585274openalex-snapshot
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.7164/antibiotics.43.1286openalex-snapshot
Evaluation of the electrophilicity of DNA-binding pyrrolo(2,1-c)(1,4)benzodiazepines by HPLC.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/adts.202401517openalex-snapshot
Prediction of Chemical Reactivity Parameters via Data‐Driven Approach
inferred← citeshttps://doi.org/10.1002/cphc.202200061openalex-snapshot
Uncertainty Quantification of Reactivity Scales**
inferred← citeshttps://doi.org/10.1002/cphc.202300162openalex-snapshot
Prediction of Nucleophilicity and Electrophilicity Based on a Machine‐Learning Approach
inferred← citeshttps://doi.org/10.1002/hlca.201400366openalex-snapshot
Exploration of Quantitative StructureReactivity Relationships for the Estimation of Mayr Nucleophilicity
inferred← citeshttps://doi.org/10.1002/jcc.70083openalex-snapshot
Prediction of Activation Energies of Organic Molecules With at Most Seven Non‐Hydrogen Atoms Using Quantum‐Chemically Assisted ML
inferred← citeshttps://doi.org/10.1007/s00044-014-1148-0openalex-snapshot
In silico molecular modeling and prediction of activity of substituted tetrahydropyrans as COX-2 inhibitor
inferred← citeshttps://doi.org/10.1007/s00894-018-3802-9openalex-snapshot
Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
inferred← citeshttps://doi.org/10.1016/j.lddd.2026.100364openalex-snapshot
Computational study of Fostemsavir reactivity to understand its degradation properties and its intrinsic stability through DFT and MD approach
inferred← citeshttps://doi.org/10.1016/j.matdes.2026.116641openalex-snapshot
Exploring the potential extension of QSAR models for the toxicity of metal alloy biomaterials
inferred← citeshttps://doi.org/10.1016/j.microc.2020.105002openalex-snapshot
Modeling an in silico platform to predict chromatographic profiles of UV filters using ChromSimulator
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00340openalex-snapshot
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00316openalex-snapshot
A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c00849openalex-snapshot
The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity and Experimental Electrophilicity and Nucleophilicity Scales
inferred← citeshttps://doi.org/10.1021/acs.joc.0c02952openalex-snapshot
Nucleophilicity Prediction via Multivariate Linear Regression Analysis
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c07289openalex-snapshot
Quantitative Structure–Reactivity Relationships for Synthesis Planning: The Benzhydrylium Case
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c08537openalex-snapshot
Methyl Cation Affinity and Methyl Anion Affinity Prediction Using Uni-Mol-Based Models
inferred← citeshttps://doi.org/10.1021/acsfoodscitech.3c00002openalex-snapshot
Understanding the Factors Influencing the Ability of Calcium-Binding Peptides to Promote Calcium Absorption
inferred← citeshttps://doi.org/10.1021/acsomega.4c08626openalex-snapshot
Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures
inferred← citeshttps://doi.org/10.1021/acsphyschemau.6c00096openalex-snapshot
Computational Investigation of the Effect of Transition Metal Coordination in Bimetallic Uranylpyridine-Dicarboxylate Complexes
inferred← citeshttps://doi.org/10.1021/cm504406aopenalex-snapshot
Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach
inferred← citeshttps://doi.org/10.1021/cr400473aopenalex-snapshot
Trifluoromethyltrimethylsilane: Nucleophilic Trifluoromethylation and Beyond
inferred← citeshttps://doi.org/10.1021/jacs.8b08800openalex-snapshot
Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au Nanoclusters
inferred← citeshttps://doi.org/10.1021/jp501740popenalex-snapshot
State-Dependent Global and Local Electrophilicity of the Aryl Cations
inferred← citeshttps://doi.org/10.1039/c4ob00555dopenalex-snapshot
Electrophilicity and nucleophilicity of commonly used aldehydes
inferred← citeshttps://doi.org/10.1039/d1cp05072aopenalex-snapshot
A machine learning approach for predicting the nucleophilicity of organic molecules
inferred← citeshttps://doi.org/10.1039/d2cp03937kopenalex-snapshot
The computational road to reactivity scales
inferred← citeshttps://doi.org/10.1039/d6cp00677aopenalex-snapshot
Graph neural network architectures for predicting the electrophilicity index: insights from 2D and 3D molecular graph representations
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1078409openalex-snapshot
A quantitative approach to polar organic reactivity
inferred← citeshttps://doi.org/10.11606/d.9.2020.tde-22122021-120350openalex-snapshot
Ferramenta >i /i< para desenvolvimento de métodos cromatográficos - aplicação em misturas de filtros solares
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-dx1qvopenalex-snapshot
Quantitative structure–reactivity relationships for synthesis planning: The benzhydrylium case
inferred← citeshttps://doi.org/10.26434/chemrxiv.14102372openalex-snapshot
Transforming Predictions into Testable Hypotheses: The Case of Polar Organic Reactivity
inferred← citeshttps://doi.org/10.26434/chemrxiv.14102372.v1openalex-snapshot
Transforming Predictions into Testable Hypotheses: The Case of Polar Organic Reactivity
inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-hwh2d-v2openalex-snapshot
Uncertainty Quantification of Reactivity Scales
inferred← citeshttps://doi.org/10.3390/md12020757openalex-snapshot
A Chemoinformatics Approach to the Discovery of Lead-Like Molecules from Marine and Microbial Sources En Route to Antitumor and Antibiotic Drugs
inferred← citeshttps://doi.org/10.3390/molecules20034848openalex-snapshot
QSAR-Assisted Virtual Screening of Lead-Like Molecules from Marine and Microbial Natural Sources for Antitumor and Antibiotic Drug Discovery
inferred← citeshttps://doi.org/10.33915/etd.4095openalex-snapshot
Novel Computational Methods for Catalytic Applications
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.