Free radicals and antioxidants in normal physiological functions and human disease.
- M. Valko, D. Leibfritz, J. Moncol’, M. Cronin, M. Mazúr, J. Telser
- BiologyInternational Journal of Biochemistry and Cell…
- 2007
Metals, toxicity and oxidative stress.
This review summarizes recent findings in the metal-induced formation of free radicals and the role of oxidative stress in the carcinogenicity and toxicity of metals.
QSAR modeling: where have you been? Where are you going to?
- A. Cherkasov, E. Muratov, A. Tropsha
- BiologyJournal of Medicinal Chemistry
- 6 January 2014
Quantitative structure-activity relationship modeling is one of the major computational tools employed in medicinal chemistry. However, throughout its entire history it has drawn both praise and…
Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis.
- M. Cronin, A. Aptula, T. Schultz
- Chemistry, BiologyChemosphere
- 1 December 2002
Pitfalls in QSAR
- M. Cronin, T. Schultz
- Chemistry, Biology
- 7 March 2003
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)
- J. Dearden, M. Cronin, K.L.E. Kaiser
- Chemistry, BiologySAR and QSAR in environmental research (Print)
- 1 April 2009
21 types of error that continue to be perpetrated in the QSAR/QSPR literature are identified and each is discussed, with examples (including some of the authors' own).
A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity
- T. Schultz, R. Carlson, G. Veith
- Chemistry, BiologySAR and QSAR in environmental research (Print)
- 1 August 2006
Empirical measures of the chemical reactivity of xenobiotics with a model nucleophile are used to simulate the relative rates at which a reactive chemical is likely to bind irreversibly to cellular targets.
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
The ability to define a chemical's potential reaction mechanism is likely to be of significant benefit to regulators and risk assessors as it enables category formation and subsequent read-across to be performed.
Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms.
- N. Golbamaki, B. Rasulev, M. Cronin
- BiologyNanoscale
- 28 January 2015
This review concluded that in the majority of the publications analysed in this review, the metal oxide (or silica) nanoparticles of the same core chemical composition did not show different genotoxicity study calls in the same test, although some results are inconsistent and need to be confirmed by additional experiments.
Multivariate Discrimination between Modes of Toxic Action of Phenols
- A. Aptula, T. Netzeva, G. Schüürmann
- Chemistry
- 1 May 2002
A set of 221 phenols, for which toxicity data to the ciliate Tetrahymena pyriformis were available, was subjected to stepwise linear discriminant analysis (LDA) in order to classify their toxic…
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