Literature DB >> 17365342

The expanding role of predictive toxicology: an update on the (Q)SAR models for mutagens and carcinogens.

Romualdo Benigni1, Tatiana I Netzeva, Emilio Benfenati, Cecilia Bossa, Rainer Franke, Christoph Helma, Etje Hulzebos, Carol Marchant, Ann Richard, Yin-Tak Woo, Chihae Yang.   

Abstract

Different regulatory schemes worldwide, and in particular, the preparation for the new REACH (Registration, Evaluation and Authorization of CHemicals) legislation in Europe, increase the reliance on estimation methods for predicting potential chemical hazard. To meet the increased expectations, the availability of valid (Q)SARs becomes a critical issue, especially for endpoints that have complex mechanisms of action, are time-and cost-consuming, and require a large number of animals to test. Here, findings from the survey on (Q)SARs for mutagenicity and carcinogenicity, initiated by the European Chemicals Bureau (ECB) and carried out by the Istituto Superiore di Sanita' are summarized, key aspects are discussed, and a broader view towards future needs and perspectives is given.

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Year:  2007        PMID: 17365342     DOI: 10.1080/10590500701201828

Source DB:  PubMed          Journal:  J Environ Sci Health C Environ Carcinog Ecotoxicol Rev        ISSN: 1059-0501            Impact factor:   3.781


  17 in total

1.  QSAR modelling of carcinogenicity by balance of correlations.

Authors:  A A Toropov; A P Toropova; E Benfenati; A Manganaro
Journal:  Mol Divers       Date:  2009-02-04       Impact factor: 2.943

2.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

3.  A Set of Six Gene Expression Biomarkers Identify Rat Liver Tumorigens in Short-term Assays.

Authors:  J Christopher Corton; Thomas Hill; Jeffrey J Sutherland; James L Stevens; John Rooney
Journal:  Toxicol Sci       Date:  2020-09-01       Impact factor: 4.849

4.  Nonlinear QSAR modeling for predicting cytotoxicity of ionic liquids in leukemia rat cell line: an aid to green chemicals designing.

Authors:  Shikha Gupta; Nikita Basant; Kunwar P Singh
Journal:  Environ Sci Pollut Res Int       Date:  2015-04-28       Impact factor: 4.223

5.  Modeling the binding affinity of structurally diverse industrial chemicals to carbon using the artificial intelligence approaches.

Authors:  Shikha Gupta; Nikita Basant; Premanjali Rai; Kunwar P Singh
Journal:  Environ Sci Pollut Res Int       Date:  2015-07-11       Impact factor: 4.223

6.  Modeling the toxicity of chemical pesticides in multiple test species using local and global QSTR approaches.

Authors:  Nikita Basant; Shikha Gupta; Kunwar P Singh
Journal:  Toxicol Res (Camb)       Date:  2015-12-10       Impact factor: 3.524

7.  Chemical structure determines target organ carcinogenesis in rats.

Authors:  C A Carrasquer; N Malik; G States; S Qamar; S L Cunningham; A R Cunningham
Journal:  SAR QSAR Environ Res       Date:  2012-10-16       Impact factor: 3.000

8.  A novel two-step hierarchical quantitative structure-activity relationship modeling work flow for predicting acute toxicity of chemicals in rodents.

Authors:  Hao Zhu; Lin Ye; Ann Richard; Alexander Golbraikh; Fred A Wright; Ivan Rusyn; Alexander Tropsha
Journal:  Environ Health Perspect       Date:  2009-04-03       Impact factor: 9.031

9.  An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts.

Authors:  Thomas Ferrari; Giuseppina Gini
Journal:  Chem Cent J       Date:  2010-07-29       Impact factor: 4.215

10.  Quantitative structure-activity relationship modeling of rat acute toxicity by oral exposure.

Authors:  Hao Zhu; Todd M Martin; Lin Ye; Alexander Sedykh; Douglas M Young; Alexander Tropsha
Journal:  Chem Res Toxicol       Date:  2009-12       Impact factor: 3.739

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