(Q30660979)

26 June 2017

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title

Computer-modeling-based QSARs for analyzing experimental data on biotransformation and toxicity (English)

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26 June 2017

Soffers AE

1

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26 June 2017

Boersma MG

2

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26 June 2017

Vaes WH

3

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26 June 2017

Vervoort J

4

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26 June 2017

Tyrakowska B

5

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26 June 2017

Hermens JL

6

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26 June 2017

Rietjens IM

7

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26 June 2017

publication date

1 August 2001

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26 June 2017

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26 June 2017

volume

15

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26 June 2017

issue

4-5

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26 June 2017

page(s)

539-551

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Integrating computer prediction systems with in vitro methods towards a better understanding of toxicology

26 June 2017

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7 January 2021

Theoretical structure-activity study of mutagenic allyl chlorides

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7 January 2021

A quantitative structure--activity relationships model for the acute toxicity of substituted benzenes to Tetrahymena pyriformis using Bayesian-regularized neural networks.

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7 January 2021

Molecular orbital-based quantitative structure-activity relationship for the cytochrome P450-catalyzed 4-hydroxylation of halogenated anilines

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7 January 2021

Chemical and biological factors affecting mutagen potency

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7 January 2021

Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis

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7 January 2021

Comparison of the QSAR models for toxicity and biodegradability of anilines and phenols

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7 January 2021

Toward a quantitative comparative toxicology of organic compounds.

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7 January 2021

Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients

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7 January 2021

Comparative QSAR evidence for a free-radical mechanism of phenol-induced toxicity

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7 January 2021

Quantitative structure-activity (QSAR) relationships of mutagenic aromatic and heterocyclic amines

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7 January 2021

Structural and quantum chemical factors affecting mutagenic potency of aminoimidazo-azaarenes

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7 January 2021

Electrophiles and acute toxicity to fish

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7 January 2021

Scope and limitation of some approaches to predicting contact hypersensitivity

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7 January 2021

Toxicology of benzyl alcohols: a QSAR analysis.

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7 January 2021

Quantitative structure-activity relationships in fish toxicity studies. Part 1: relationship for 50 industrial pollutants

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7 January 2021

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

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7 January 2021

The practice of structure activity relationships (SAR) in toxicology

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7 January 2021

Antioxidant activities of carotenes and xanthophylls

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7 January 2021

Importance of Carotenoid Structure in Radical-Scavenging Reactions

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7 January 2021

Commentary on the application of (Q)SAR to the toxicological evaluation of existing chemicals

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7 January 2021

The utility of computed superdelocalizability for predicting the LC50 values of epoxides to guppies.

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7 January 2021

Regioselectivity of cytochrome P-450 catalyzed hydroxylation of fluorobenzenes predicted by calculated frontier orbital substrate characteristics

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7 January 2021

Quantitative Structure-Activity Relationships Based on Computer Calculated Parameters for the Overall Rate of Glutathione S-Transferase Catalyzed Conjugation of a Series of Fluoronitrobenzenes

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7 January 2021

Quantitative structure-activity relationships of mutagenic aromatic and heteroaromatic azides and amines

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7 January 2021

Quantitative Structure−Activity Analysis of the Algae Toxicity of Nitroaromatic Compounds

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7 January 2021

QSAR analysis of the acute fish toxicity of organic phosphorothionates using theoretically derived molecular descriptors

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7 January 2021

Prooxidant toxicity of polyphenolic antioxidants to HL-60 cells: description of quantitative structure-activity relationships

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7 January 2021

QSAR analyses of the toxicity of aliphatic carboxylic acids and salts to Tetrahymena pyriformis

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7 January 2021

Explorations of molecular structure-property relationships

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7 January 2021

Regioselectivity and quantitative structure-activity relationships for the conjugation of a series of fluoronitrobenzenes by purified glutathione S-transferase enzymes from rat and man

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7 January 2021

Antioxidant activities of carotenoids: quantitative relationships between theoretical calculations and experimental literature data

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7 January 2021

Carotenoid mixtures protect multilamellar liposomes against oxidative damage: synergistic effects of lycopene and lutein

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7 January 2021

Improved QSARs for predictive toxicology of halogenated hydrocarbons

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7 January 2021

Frontier orbital energies, hydrophobicity and steric factors as physical QSAR descriptors of molecular mutagenicity. A review with a case study: MX compounds

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7 January 2021

TEAC antioxidant activity of 4-hydroxybenzoates

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7 January 2021

Understanding and Estimating Membrane/Water Partition Coefficients: Approaches To Derive Quantitative Structure Property Relationships

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7 January 2021

A quantum chemical explanation of the antioxidant activity of flavonoids

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7 January 2021

Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes.

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7 January 2021

Structure-activity relationships for the glutathione conjugation of 2-substituted 1-chloro-4-nitrobenzenes by rat glutathione S-transferase 4-4

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7 January 2021

Quantitative structure-toxicity relationships for halogenated substituted-benzenes to Vibrio fischeri, using atom-based semi-empirical molecular-orbital descriptors.

1 reference

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7 January 2021

Quantitative structure-toxicity relationships for chlorophenols to bioluminescent lux-marked bacteria using atom-based semi-empirical molecular-orbital descriptors

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7 January 2021

Toxicity modeling and prediction with pattern recognition

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7 January 2021

Oxidation of carotenoids by free radicals: relationship between structure and reactivity

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7 January 2021

QSAR study of the toxicity of benzoic acids to Vibrio fischeri, Daphnia magna and carp

1 reference

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7 January 2021

10.1016/S0887-2333(01)00060-1

Identifiers

DOI

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26 June 2017

1 reference