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Structural AlertsA New Classification Model to Discriminate Excess Toxicity from Narcotic Effect Levels of Organic Compounds in the Acute Daphnid Assay

https://doi.org/10.1021/tx0497954
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Structure-Toxicity Relationships for Industrial Chemicals Causing Type (II) Narcosis Syndrome
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Classifying environmental pollutants
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Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants
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Daphnia magna ecotoxicity test with parathion
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Probing Bioactive Mechanisms
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Base-Line Toxicity Predicted by Quantitative Structure—Activity Relationships as a Probe for Molecular Mechanism of Toxicity
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Chemical industry pressured to test high-production volume chemicals
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Linear Regression and Computational Neural Network Prediction of Tetrahymena Acute Toxicity for Aromatic Compounds from Molecular Structure
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Development of QSARs for Predicting the Joint Effects between Cyanogenic Toxicants and Aldehydes
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Study of 202 Natural, Synthetic, and Environmental Chemicals for Binding to the Androgen Receptor
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Structure−Activity Relationships for the Toxicity of Polychlorinated Dibenzofurans: Approach through Density Functional Theory-Based Descriptors
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Stepwise Discrimination between Four Modes of Toxic Action of Phenols in the Tetrahymena pyriformis Assay
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Computer-Aided Knowledge Generation for Understanding Skin Sensitization Mechanisms: The TOPS-MODE Approach
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Quantitative Structure−Activity Analysis of the Algae Toxicity of Nitroaromatic Compounds
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Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals
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Electrophiles and Acute Toxicity to Fish
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A comparison of model performance for six quantitative structure-activity relationship packages that predict acute toxicity to fish
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An overview of the use of quantitative structure-activity relationships for ranking and prioritizing large chemical inventories for environmental risk assessments
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Overview of data and conceptual approaches for derivation of quantitative structure-activity relationships for ecotoxicological effects of organic chemicals
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Quantitative structure-activity relationships for predicting potential ecological hazard of organic chemicals for use in regulatory risk assessments
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Mixture toxicity and its modeling by quantitative structure-activity relationships
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A QSAR study of the acute toxicity of some industrial organic chemicals to goldfish. Narcosis, electrophile and proelectrophile mechanisms
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Hepatic microsomal N-hydroxylation of aniline and 4-chloroaniline by rainbow trout (Onchorhyncus mykiss)
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Principles of Biochemical Toxicology
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The Pesticide manual: a world compendium

What points at this work

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Occurrence and Toxicity of 331 Organic Pollutants in Large Rivers of North Germany over a Decade (1994 to 2004)
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Local Electrophilicity Predicts the Toxicity-Relevant Reactivity of Michael Acceptors
inferred← citeshttps://doi.org/10.1021/tx050164zopenalex-snapshot
Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model
inferred← citeshttps://doi.org/10.1021/tx100172xopenalex-snapshot
Prediction of Michael-Type Acceptor Reactivity toward Glutathione
inferred← citeshttps://doi.org/10.1021/tx100226nopenalex-snapshot
Thiol Reactivity and Its Impact on the Ciliate Toxicity of α,β-Unsaturated Aldehydes, Ketones, and Esters
inferred← citeshttps://doi.org/10.1021/tx100298wopenalex-snapshot
Acute and Chronic Toxicity toward the Bacteria Vibrio fischeri of Organic Narcotics and Epoxides: Structural Alerts for Epoxide Excess Toxicity
inferred← citeshttps://doi.org/10.1021/tx200395kopenalex-snapshot
Structural Alerts for the Excess Toxicity of Acrylates, Methacrylates, and Propiolates Derived from Their Short-Term and Long-Term Bacterial Toxicity
inferred← citeshttps://doi.org/10.1021/tx300457fopenalex-snapshot
Biotransformation Pathways of Biocides and Pharmaceuticals in Freshwater Crustaceans Based on Structure Elucidation of Metabolites Using High Resolution Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/tx800492xopenalex-snapshot
Kinetic Glutathione Chemoassay To Quantify Thiol Reactivity of Organic Electrophiles—Application to α,β-Unsaturated Ketones, Acrylates, and Propiolates
inferred← citeshttps://doi.org/10.1021/tx900263mopenalex-snapshot
Analyzing Cytotoxic Effects of Selected Isothiazol-3-one Biocides Using the Toxic Ratio Concept and Structure−Activity Relationship Considerations
inferred← citeshttps://doi.org/10.1039/9781849731744-00030openalex-snapshot
Approaches for Grouping Chemicals into Categories
inferred← citeshttps://doi.org/10.1039/9781849732093-00031openalex-snapshot
Finding the Data to Develop and Evaluate (Q)SARs and Populate Categories for Toxicity Prediction
inferred← citeshttps://doi.org/10.1039/9781849734400-00030openalex-snapshot
Approaches for Grouping Chemicals into Categories
inferred← citeshttps://doi.org/10.1039/9781849737920-00265openalex-snapshot
Integrated Approaches to Safety Testing: General Principles and Skin Sensitization as Test Case
inferred← citeshttps://doi.org/10.1039/c4tx00174eopenalex-snapshot
In silico prediction of chemical aquatic toxicity with chemical category approaches and substructural alerts
inferred← citeshttps://doi.org/10.1039/c6em00600kopenalex-snapshot
Classification of baseline toxicants for QSAR predictions to replace fish acute toxicity studies
inferred← citeshttps://doi.org/10.1039/c6em00679eopenalex-snapshot
Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization–Support Vector Machine QSTR models
inferred← citeshttps://doi.org/10.1039/c7tx00144dopenalex-snapshot
In silico prediction of pesticide aquatic toxicity with chemical category approaches
inferred← citeshttps://doi.org/10.1039/c8tx00331aopenalex-snapshot
In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning
inferred← citeshttps://doi.org/10.1065/espr2006.01.013openalex-snapshot
Discriminating Toxicant Classes by Mode of Action - 1. (Eco)toxicity Profiles
inferred← citeshttps://doi.org/10.1065/uwsf2007.10.219openalex-snapshot
Ökotoxikologische Charakterisierung von Nonylphenol Isomeren
inferred← citeshttps://doi.org/10.1080/02757540.2025.2498156openalex-snapshot
Hidden dangers: aromatic amines and their impact on freshwater species
inferred← citeshttps://doi.org/10.1080/10629360601054354openalex-snapshot
Discriminating toxicant classes by mode of action: 3. Substructure indicators
inferred← citeshttps://doi.org/10.1080/10629360701304253openalex-snapshot
A new approach to QSAR modelling of acute toxicity†
inferred← citeshttps://doi.org/10.1080/10629360701698571openalex-snapshot
Comment on “Discriminating toxicant classes by mode of action: 3. Substructure indicators” (M. Nendza and M. Müller, SAR QSAR Environ. Res. 18 155 (2007))
inferred← citeshttps://doi.org/10.1080/10629360701698621openalex-snapshot
Response to Letter to the Editor: Comment on “Discriminating toxicant classes by mode of action: 3. Substructure indicators” (M. Nendza and M. Müller, SAR QSAR Environ. Res. 18 155 (2007)) (P. C. von der Ohe, R. Kühne, R. U. Ebert and G. Schüürmann, SAR QSAR Environ. Res. 18 621 (2007))
inferred← citeshttps://doi.org/10.1080/10629360802348803openalex-snapshot
Mode of action-based classification and prediction of activity of uncouplers for the screening of chemical inventories
inferred← citeshttps://doi.org/10.1080/1062936x.2010.501143openalex-snapshot
Toxicity of organic pollutants to seven aquatic organisms: effect of polarity and ionization
inferred← citeshttps://doi.org/10.1080/1062936x.2010.528943openalex-snapshot
Examination of Michael addition reactivity towards glutathione by transition-state calculations
inferred← citeshttps://doi.org/10.1080/1062936x.2011.569944openalex-snapshot
Application of chemical reaction mechanistic domains to an ecotoxicity QSAR model, the KAshinhou Tool for Ecotoxicity (KATE)
inferred← citeshttps://doi.org/10.1080/1062936x.2011.623317openalex-snapshot
Quantitative structure–activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors
inferred← citeshttps://doi.org/10.1080/1062936x.2013.783507openalex-snapshot
Prediction of acute aquatic toxicity inTetrahymena pyriformis– ‘Eco-Derek’, a knowledge-based system approach£
inferred← citeshttps://doi.org/10.1080/1062936x.2013.792874openalex-snapshot
Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones
inferred← citeshttps://doi.org/10.1080/1062936x.2014.898693openalex-snapshot
Experimental verification of structural alerts for the protein binding of sulfur-containing compounds
inferred← citeshttps://doi.org/10.1080/1062936x.2014.907205openalex-snapshot
Discriminating toxicant classes by mode of action: 4. Baseline and excess toxicity
inferred← citeshttps://doi.org/10.1080/1062936x.2014.977818openalex-snapshot
Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1137353openalex-snapshot
QSAR study of the acute toxicity to fathead minnow based on a large dataset
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1174151openalex-snapshot
Predicting algal growth inhibition toxicity: three-step strategy using structural and physicochemical properties
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1229691openalex-snapshot
Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis
inferred← citeshttps://doi.org/10.1080/1062936x.2020.1791250openalex-snapshot
Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna
inferred← citeshttps://doi.org/10.1080/1062936x.2020.1810770openalex-snapshot
Modelling quantitative structure activity–activity relationships (QSAARs): auto-pass-pass, a new approach to fill data gaps in environmental risk assessment under the REACH regulation
inferred← citeshttps://doi.org/10.1080/1062936x.2020.1866070openalex-snapshot
Synthesis, biological activity, and four-dimensional quantitative structure–activity analysis of 2-arylidene indan-1,3-dione derivatives tested against Daphnia magna
inferred← citeshttps://doi.org/10.1080/1062936x.2021.1932583openalex-snapshot
QSAR analysis of the acute toxicity of avermectins towards Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1080/1062936x.2022.2098814openalex-snapshot
Prediction of acute toxicity to Daphnia magna and interspecific correlation: a global QSAR model and a Daphnia-minnow QTTR model
inferred← citeshttps://doi.org/10.1080/10643389.2020.1856594openalex-snapshot
Uptake/release of organic contaminants by microplastics: A critical review of influencing factors, mechanistic modeling, and thermodynamic prediction methods
inferred← citeshttps://doi.org/10.1080/15287390903421235openalex-snapshot
Use of a (Quantitative) Structure–Activity Relationship [(Q)Sar] Model to Predict the Toxicity of Naphthenic Acids
inferred← citeshttps://doi.org/10.1080/1547691x.2018.1465144openalex-snapshot
Predicting skin sensitization potential of organic compounds based on toxicity enhancement to Tetrahymena pyriformis, fathead minnow, and Daphnia magna
inferred← citeshttps://doi.org/10.1098/rspb.2013.3239openalex-snapshot
Using phylogenetic information and chemical properties to predict species tolerances to pesticides
inferred← citeshttps://doi.org/10.1139/s06-041openalex-snapshot
Chemical toxicity correlations for several protozoas, bacteria, and water fleas based on the Abraham solvation parameter model
inferred← citeshttps://doi.org/10.1177/026119290903700512openalex-snapshot
The use of Mechanisms and Modes of Toxic Action in Integrated Testing Strategies: The Report and Recommendations of a Workshop held as part of the European Union OSIRIS Integrated Project
inferred← citeshttps://doi.org/10.1177/026119291404200106openalex-snapshot
Prediction of Acute Aquatic Toxicity toward Daphnia Magna by using the GA- k NN Method
inferred← citeshttps://doi.org/10.1371/journal.pone.0148900openalex-snapshot
Mutagenicity in a Molecule: Identification of Core Structural Features of Mutagenicity Using a Scaffold Analysis
inferred← citeshttps://doi.org/10.1371/journal.pone.0150028openalex-snapshot
Comparison of Toxicities to Vibrio fischeri and Fish Based on Discrimination of Excess Toxicity from Baseline Level
inferred← citeshttps://doi.org/10.1517/17460441.2.12.1567openalex-snapshot
On some aspects of validation of predictive quantitative structure–activity relationship models
inferred← citeshttps://doi.org/10.1890/10-2242.1openalex-snapshot
Using phylogenetic information to predict species tolerances to toxic chemicals
inferred← citeshttps://doi.org/10.1897/05-701r.1openalex-snapshot
Acute to chronic ratios in aquatic toxicity—variation across trophic levels and relationship with chemical structure
inferred← citeshttps://doi.org/10.1897/06-075r.1openalex-snapshot
Development of a daphnia magna DNA microarray for evaluating the toxicity of environmental chemicals
inferred← citeshttps://doi.org/10.1897/ieam_2008-043.1openalex-snapshot
Toward an integrated assessment of the ecological and chemical status of european river basins
inferred← citeshttps://doi.org/10.2174/978160805121211101010111openalex-snapshot
Impacts of Pesticides on Freshwater Ecosystems
inferred← citeshttps://doi.org/10.24377/ljmu.t.00004554openalex-snapshot
Development of in silico models for the prediction of toxicity incorporating ADME information
inferred← citeshttps://doi.org/10.24377/ljmu.t.00011366openalex-snapshot
In Silico Classification of Industrial Chemicals Associated with Acute Aquatic Toxic Action Utilising Molecular Initiating Events
inferred← citeshttps://doi.org/10.2533/chimia.2020.168openalex-snapshot
PeBiToSens™: A Platform for PBT Screening of Fragrance Ingredients Without Animal Testing
inferred← citeshttps://doi.org/10.3109/10408444.2011.598141openalex-snapshot
A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity
inferred← citeshttps://doi.org/10.3390/molecules28104123openalex-snapshot
Identification of Some Glutamic Acid Derivatives with Biological Potential by Computational Methods
inferred← citeshttps://doi.org/10.5772/29972openalex-snapshot
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model
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