Model Suite for Predicting the Aquatic Toxicity of α,β-Unsaturated Esters Triggered by Their Chemoavailability (Q39536148)

12 September 2017

Model Suite for Predicting the Aquatic Toxicity of α,β-Unsaturated Esters Triggered by Their Chemoavailability (English)

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12 September 2017

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Gerrit Schüürmann

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author name string

Denis Mulliner

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1

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12 September 2017

14 January 2013

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12 September 2017

Molecular Informatics

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12 September 2017

32

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12 September 2017

1

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12 September 2017

98-107

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Allergic contact dermatitis--formation, structural requirements, and reactivity of skin sensitizers

12 September 2017

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Searches for ultimate chemical carcinogens and their reactions with cellular macromolecules.

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

The role of glutathione and glutathione transferases in chemical carcinogenesis

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Mechanisms of chemical carcinogenicity and mutagenicity: a review with implications for predictive toxicology

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Evidence that amyloid beta-peptide-induced lipid peroxidation and its sequelae in Alzheimer's disease brain contribute to neuronal death

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Cellular mechanisms of redox cell signalling: role of cysteine modification in controlling antioxidant defences in response to electrophilic lipid oxidation products

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Combined proteomic approaches for the identification of specific amino acid residues modified by 4-hydroxy-2-nonenal under physiological conditions

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Covalent adduction of human serum albumin by 4-hydroxy-2-nonenal: kinetic analysis of competing alkylation reactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Anti-inflammatory cyclopentenone prostaglandins are direct inhibitors of IkappaB kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Molecular mechanism of glyceraldehyde-3-phosphate dehydrogenase inactivation by α,β-unsaturated carbonyl derivatives

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Measurement and estimation of electrophilic reactivity for predictive toxicology

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Kinetic glutathione chemoassay to quantify thiol reactivity of organic electrophiles--application to alpha,beta-unsaturated ketones, acrylates, and propiolates

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Thiol reactivity and its impact on the ciliate toxicity of α,β-unsaturated aldehydes, ketones, and esters

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Chemoassay screening of DNA-reactive mutagenicity with 4-(4-nitrobenzyl)pyridine - application to epoxides, oxetanes, and sulfur heterocycles

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculations.

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Examination of Michael addition reactivity towards glutathione by transition-state calculations

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Acute and chronic toxicity toward the bacteria Vibrio fischeri of organic narcotics and epoxides: structural alerts for epoxide excess toxicity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Structural alerts for the excess toxicity of acrylates, methacrylates, and propiolates derived from their short-term and long-term bacterial toxicity.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Epoxide and thiirane toxicity in vitro with the ciliates Tetrahymena pyriformis: structural alerts indicating excess toxicity.

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Application of a computational model for Michael addition reactivity in the prediction of toxicity to Tetrahymena pyriformis.

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Structure-toxicity relationships for the effects to Tetrahymena pyriformis of aliphatic, carbonyl-containing, alpha,beta-unsaturated chemicals

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Trends in structure-toxicity relationships for carbonyl-containing alpha,beta-unsaturated compounds

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Abiotic sulfhydryl reactivity: a predictor of aquatic toxicity for carbonyl-containing alpha,beta-unsaturated compounds.

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

A new mixing of Hartree–Fock and local density‐functional theories

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

External validation and prediction employing the predictive squared correlation coefficient test set activity mean vs training set activity mean.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Local Electrophilicity Predicts the Toxicity-Relevant Reactivity of Michael Acceptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200101

Prediction of Michael-Type Acceptor Reactivity toward Glutathione

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

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

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201200101

Comparison of Tetrahymena and Pimephales toxicity based on mechanism of action

21 January 2018

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200101

Skin, drug and chemical reactions

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200101

Michael addition-type 4-hydroxy-2-nonenal adducts in modified low-density lipoproteins: markers for atherosclerosis

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200101

A QSAR study of the acute toxicity of some industrial organic chemicals to goldfish. Narcosis, electrophile and proelectrophile mechanisms

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200101

8 April 2023

Identifiers

DOI

10.1002/MINF.201200101

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12 September 2017

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PubMed ID

27481027