On the public citation graph
Parametrization of Electrophilicity for the Prediction of the Toxicity of Aromatic Compounds
0 signed · 82 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known work and none has been retracted — and get a dated CiteStamped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/qsar.19960150406openalex-snapshot
Quantum‐chemical Descriptors for Estimating the Acute Toxicity of Substituted Benzenes to the Guppy (Poecilia reticulata) and Fathead Minnow (Pimephales promelas)
inferredcites →https://doi.org/10.1007/bf00125666openalex-snapshot
COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems
inferredcites →https://doi.org/10.1007/bf01680556openalex-snapshot
Strategic approaches to drug design. I. An integrated software framework for molecular modelling
inferredcites →https://doi.org/10.1016/0278-6915(84)90060-7openalex-snapshot
Allergic Contact Dermatitis to Simple Chemicals: A Molecular Approach
inferredcites →https://doi.org/10.1016/b978-0-08-100098-4.00005-3openalex-snapshot
Quantitative Structure–Activity Relationships
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/cr950202ropenalex-snapshot
Quantum-Chemical Descriptors in QSAR/QSPR Studies
inferredcites →https://doi.org/10.1021/tx00046a008openalex-snapshot
Linear Free Energy Relationships for Reactions of Electrophilic Halo- and Pseudohalobenzenes, and Their Application in Prediction of Skin Sensitization Potential for SNAr Electrophiles
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470372531.ch3openalex-snapshot
Drug‐Associated Mitochondrial Toxicity
inferred← citeshttps://doi.org/10.1002/cbdv.200900022openalex-snapshot
The Biochemistry of Drug Metabolism – An Introduction
inferred← citeshttps://doi.org/10.1002/chin.200444297openalex-snapshot
Quantum Chemical Descriptors in Structure—Activity Relationships: Calculation, Interpretation, and Comparison of Methods
inferred← citeshttps://doi.org/10.1002/cmdc.200900120openalex-snapshot
Structure–Property Relationships of a Class of Carbamate‐Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors: Chemical and Biological Stability
inferred← citeshttps://doi.org/10.1002/etc.5620220319openalex-snapshot
ESSENTIAL AND DESIRABLE CHARACTERISTICS OF ECOTOXICITY QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS
inferred← citeshttps://doi.org/10.1002/qsar.200530146openalex-snapshot
An Electrophilicity Based Analysis of Toxicity of Aromatic Compounds Towards Tetrahymena Pyriformis
inferred← citeshttps://doi.org/10.1002/qsar.200630030openalex-snapshot
QSAR Studies Related to Toxicity of Aromatic Compounds on Tetrahymena Pyriformis
inferred← citeshttps://doi.org/10.1002/qsar.200810025openalex-snapshot
QSPR Study of n‐Octanol/Water Partition Coefficient of Some Aromatic Compounds Using Support Vector Regression
inferred← citeshttps://doi.org/10.1002/qua.24133openalex-snapshot
Comparative assessment of QSTR models based on density functional, hartree–fock, AM1, and PM3 methods for acute toxicity of aliphatic compounds toward Vibrio fischeri
inferred← citeshttps://doi.org/10.1007/978-3-540-45226-3_125openalex-snapshot
A Study of Aquatic Toxicity Using Artificial Neural Networks
inferred← citeshttps://doi.org/10.1007/978-3-642-32750-6_5openalex-snapshot
Biological Activity and Toxicity: A Conceptual DFT Approach
inferred← citeshttps://doi.org/10.1007/s00216-013-7094-8openalex-snapshot
Fragmentation pathways of O-alkyl methylphosphonothionocyanidates in the gas phase: Toward unambiguous structural characterization of chemicals in the Chemical Weapons Convention framework
inferred← citeshttps://doi.org/10.1007/s00244-004-1259-6openalex-snapshot
Predicting the Toxicity of Substituted Phenols to Aquatic Species and Its Changes in the Stream and Effluent Waters
inferred← citeshttps://doi.org/10.1007/s00894-025-06487-5openalex-snapshot
Conceptual density functional theory in drug discovery: an overview
inferred← citeshttps://doi.org/10.1007/s10822-013-9664-4openalex-snapshot
From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions
inferred← citeshttps://doi.org/10.1007/s11356-021-15000-3openalex-snapshot
Ultraviolet photolysis of four typical cardiovascular drugs: mechanisms, influencing factors, degradation pathways, and toxicity trends
inferred← citeshttps://doi.org/10.1007/s11356-022-18760-8openalex-snapshot
Analysis of degradation and pathways of three common antihistamine drugs by NaClO, UV, and UV-NaClO methods
inferred← citeshttps://doi.org/10.1007/s11356-025-36874-7openalex-snapshot
Pollution risk assessment by designing predictive binary classification models of substituted benzenes centered on data mining and machine learning techniques
inferred← citeshttps://doi.org/10.1007/s12039-007-0061-1openalex-snapshot
An atom counting and electrophilicity based QSTR approach
inferred← citeshttps://doi.org/10.1016/j.arabjc.2012.04.031openalex-snapshot
QSAR study of the toxicity of nitrobenzenes to Tetrahymena pyriformis using quantum chemical descriptors
inferred← citeshttps://doi.org/10.1016/j.bmc.2003.11.028openalex-snapshot
A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.12.028openalex-snapshot
3D QSAR Markov model for drug-induced eosinophilia—theoretical prediction and preliminary experimental assay of the antimicrobial drug G1
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2005.04.040openalex-snapshot
QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2008.06.052openalex-snapshot
Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2010.11.043openalex-snapshot
In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2016.09.041openalex-snapshot
Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database
inferred← citeshttps://doi.org/10.1016/j.comtox.2024.100338openalex-snapshot
The predictivity of QSARs for toxicity: Recommendations for improving model performance
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2009.04.007openalex-snapshot
Molecular connectivity indices for predicting bioactivities of substituted nitrobenzene and aniline compounds
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2013.11.019openalex-snapshot
3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches
inferred← citeshttps://doi.org/10.1016/j.ijms.2015.12.003openalex-snapshot
Unambiguous mass spectral characterization of VX and its six other structural isomers using gas chromatography–mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.jmgm.2015.09.004openalex-snapshot
Toxicity prediction of PHDDs and phenols in the light of nucleic acid bases and DNA base pair interaction
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2019.05.011openalex-snapshot
Aldehyde oxidase and its role as a drug metabolizing enzyme
inferred← citeshttps://doi.org/10.1016/j.psep.2021.04.011openalex-snapshot
Risk assessment of organic aromatic compounds to Tetrahymena pyriformis in environmental protection by a simple QSAR model
inferred← citeshttps://doi.org/10.1016/j.psep.2022.12.067openalex-snapshot
Risk assessment of aromatic organic chemicals to T. pyriformis in environmental protection using regression-based QSTR and Read-Across algorithm
inferred← citeshttps://doi.org/10.1016/j.taap.2010.04.004openalex-snapshot
Importance of structural information in predicting human acute toxicity from in vitro cytotoxicity data
inferred← citeshttps://doi.org/10.1016/s0045-6535(03)00573-3openalex-snapshot
Ecotoxicity prediction using mechanism- and non-mechanism-based QSARs: a preliminary study
inferred← citeshttps://doi.org/10.1016/s0045-6535(03)00715-xopenalex-snapshot
Acute toxicity of benzene derivatives to the tadpoles (Rana japonica) and QSAR analyses
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00614-0openalex-snapshot
Quantitative structure–activity relationships (QSARs) in toxicology: a historical perspective
inferred← citeshttps://doi.org/10.1016/s1359-6446(04)03115-0openalex-snapshot
Compound lipophilicity for substrate binding to human P450s in drug metabolism
inferred← citeshttps://doi.org/10.1021/ci049747popenalex-snapshot
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs
inferred← citeshttps://doi.org/10.1021/cr078014bopenalex-snapshot
Update 1 of: Electrophilicity Index
inferred← citeshttps://doi.org/10.1021/cr100098nopenalex-snapshot
Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology
inferred← citeshttps://doi.org/10.1021/cr100149popenalex-snapshot
Update 2 of: Electrophilicity Index
inferred← citeshttps://doi.org/10.1021/es4011042openalex-snapshot
New Insight into Adsorption Mechanism of Ionizable Compounds on Carbon Nanotubes
inferred← citeshttps://doi.org/10.1021/tx2003257openalex-snapshot
Application of the Hard and Soft, Acids and Bases (HSAB) Theory to Toxicant–Target Interactions
inferred← citeshttps://doi.org/10.1021/tx900147gopenalex-snapshot
Molecular Mechanisms of 4-Hydroxy-2-nonenal and Acrolein Toxicity: Nucleophilic Targets and Adduct Formation
inferred← citeshttps://doi.org/10.1023/b:modi.0000047499.11033.83openalex-snapshot
Comparison of electrotopological-state indices versus atomic charge and superdelocalisability indices in a QSAR study of the receptor binding properties of halogenated estradiol derivatives
inferred← citeshttps://doi.org/10.1039/9781849732093-00193openalex-snapshot
The Use of Frontier Molecular Orbital Calculations in Predictive Reactive Toxicology
inferred← citeshttps://doi.org/10.1039/9781849732093-00446openalex-snapshot
Biological Read-Across: Mechanistically-Based Species–Species and Endpoint–Endpoint Extrapolations
inferred← citeshttps://doi.org/10.1039/c6em00687fopenalex-snapshot
(Q)SARs to predict environmental toxicities: current status and future needs
inferred← citeshttps://doi.org/10.1039/d0ew00244eopenalex-snapshot
QSAR modeling for reaction rate constants of e aq − with diverse organic compounds in water
inferred← citeshttps://doi.org/10.1080/00268970701261449openalex-snapshot
Long range relationship between Morse and Lennard–Jones potential energy functions
inferred← citeshttps://doi.org/10.1080/1062936x.2023.2171478openalex-snapshot
Two QSAR models for predicting the toxicity of chemicals towards Tetrahymena pyriformis based on topological-norm descriptors and spatial-norm descriptors
inferred← citeshttps://doi.org/10.1080/10659360600562079openalex-snapshot
Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1093/toxsci/kfm127openalex-snapshot
Neurotoxic Mechanisms of Electrophilic Type-2 Alkenes: Soft Soft Interactions Described by Quantum Mechanical Parameters
inferred← citeshttps://doi.org/10.1124/dmd.112.045823openalex-snapshot
Effect of Structural Variation on Aldehyde Oxidase-Catalyzed Oxidation of Zoniporide
inferred← citeshttps://doi.org/10.1139/cjc-2013-0120openalex-snapshot
Toxicity profile of aromatic compounds towards Scenedesmus obliquus: a QSAR study
inferred← citeshttps://doi.org/10.1155/2010/545087openalex-snapshot
A Comparative Study of Two Quantum Chemical Descriptors in Predicting Toxicity of Aliphatic Compounds towardsTetrahymena pyriformis
inferred← citeshttps://doi.org/10.1163/156856003321547112openalex-snapshot
Quantitative structure–activity relationships (QSARs) within the cytochrome P450 system: QSARs describing substrate binding, inhibition and induction of P450s
inferred← citeshttps://doi.org/10.1177/026119290703500112openalex-snapshot
Comparative Quantitative Structure–Activity–Activity Relationships for Toxicity to Tetrahymena pyriformis and Pimephales promelas
inferred← citeshttps://doi.org/10.1201/9780203010822.ch8openalex-snapshot
Quantitative Structure-Activity Relationships for Acute Aquatic Toxicity
inferred← citeshttps://doi.org/10.1201/9780203642627.ch6openalex-snapshot
Quantum Chemical Descriptors in Structure-Activity Relationships — Calculation, Interpretation, and Comparison of Methods
inferred← citeshttps://doi.org/10.1201/9780203913390.ch24openalex-snapshot
Quantum-Chemical Descriptors in QSAR
inferred← citeshttps://doi.org/10.1517/17425255.1.4.655openalex-snapshot
Drug-induced mitochondrial toxicity
inferred← citeshttps://doi.org/10.18632/oncotarget.17210openalex-snapshot
Prediction of the aquatic toxicity of aromatic compounds to tetrahymena pyriformis through support vector regression
inferred← citeshttps://doi.org/10.1897/01-274openalex-snapshot
Quantitative structure-activity relationships for human health effects: Commonalities with other endpoints
inferred← citeshttps://doi.org/10.25148/etd.fi10041625openalex-snapshot
Chlorine Contribution to Quantitative Structure and Activity Relationship Models of Disinfection By-Products' Quantum Chemical Descriptors and Toxicities
inferred← citeshttps://doi.org/10.54021/seesv6n1-015openalex-snapshot
A genetic algorithm-multiple linear regression model to quantify the toxicity of nitrobenzene derivatives
inferred← citeshttps://doi.org/10.58837/chula.the.2017.1291openalex-snapshot
การปรบสภาพตวเรงปฏกรยา WO3/TiO2 ดวยกรดกำมะถนเพอใชในการกำจดไนตรกออกไซดและโทลอนพรอมกน
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.