Literature DB >> 19544189

Using chemical categories to fill data gaps in hazard assessment.

K van Leeuwen1, T W Schultz, T Henry, B Diderich, G D Veith.   

Abstract

Hazard assessments of chemicals have been limited by the availability of test data and the time needed to evaluate the test data. While available data may be inadequate for the majority of industrial chemicals, the body of existing knowledge for most hazards is large enough to permit reliable estimates to be made for untested chemicals without additional animal testing. We provide a summary of the growing use by regulatory agencies of the chemical categories approach, which groups chemicals based on their similar toxicological behaviour and fills in the data gaps in animal test data such as genotoxicity and aquatic toxicity. Although the categories approach may be distinguished from the use of quantitative structure-activity relationships (QSARs) for specific hazard endpoints, robust chemical categories are founded on quantifying the chemical structure with parameters that control chemical behaviour in conventional hazard assessment. The dissemination of the QSAR Application Toolbox by the Organisation for Economic Cooperation and Development (OECD) is an effort to facilitate the use of the categories approach and reduce the need for additional animal testing.

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Year:  2009        PMID: 19544189     DOI: 10.1080/10629360902949179

Source DB:  PubMed          Journal:  SAR QSAR Environ Res        ISSN: 1026-776X            Impact factor:   3.000


  14 in total

1.  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

2.  Toxicity testing by category for 30,000 chemicals?

Authors:  Kees van Leeuwen; Gerwin Schaafsma
Journal:  Nature       Date:  2009-11-05       Impact factor: 49.962

3.  Exploring current read-across applications and needs among selected U.S. Federal Agencies.

Authors:  Grace Patlewicz; Lucina E Lizarraga; Diego Rua; David G Allen; Amber B Daniel; Suzanne C Fitzpatrick; Natàlia Garcia-Reyero; John Gordon; Pertti Hakkinen; Angela S Howard; Agnes Karmaus; Joanna Matheson; Moiz Mumtaz; Andrea-Nicole Richarz; Patricia Ruiz; Louis Scarano; Takashi Yamada; Nicole Kleinstreuer
Journal:  Regul Toxicol Pharmacol       Date:  2019-05-10       Impact factor: 3.271

4.  Increasing the Value of Data Within a Large Pharmaceutical Company Through In Silico Models.

Authors:  Alessandro Brigo; Doha Naga; Wolfgang Muster
Journal:  Methods Mol Biol       Date:  2022

Review 5.  In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways.

Authors:  Jennifer Hemmerich; Gerhard F Ecker
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2020-03-31

6.  Integrating data gap filling techniques: A case study predicting TEFs for neurotoxicity TEQs to facilitate the hazard assessment of polychlorinated biphenyls.

Authors:  Prachi Pradeep; Laura M Carlson; Richard Judson; Geniece M Lehmann; Grace Patlewicz
Journal:  Regul Toxicol Pharmacol       Date:  2018-10-22       Impact factor: 3.271

7.  Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology.

Authors:  Costanza Rovida; Tara Barton-Maclaren; Emilio Benfenati; Francesca Caloni; P. Charukeshi Chandrasekera; Christophe Chesné; Mark T D Cronin; Joop De Knecht; Daniel R Dietrich; Sylvia E Escher; Suzanne Fitzpatrick; Brenna Flannery; Matthias Herzler; Susanne Hougaard Bennekou; Bruno Hubesch; Hennicke Kamp; Jaffar Kisitu; Nicole Kleinstreuer; Simona Kovarich; Marcel Leist; Alexandra Maertens; Kerry Nugent; Giorgia Pallocca; Manuel Pastor; Grace Patlewicz; Manuela Pavan; Octavio Presgrave; Lena Smirnova; Michael Schwarz; Takashi Yamada; Thomas Hartung
Journal:  ALTEX       Date:  2020-04-30       Impact factor: 6.250

Review 8.  Automated detection of structural alerts (chemical fragments) in (eco)toxicology.

Authors:  Alban Lepailleur; Guillaume Poezevara; Ronan Bureau
Journal:  Comput Struct Biotechnol J       Date:  2013-04-06       Impact factor: 7.271

Review 9.  Chemical Safety Assessment Using Read-Across: Assessing the Use of Novel Testing Methods to Strengthen the Evidence Base for Decision Making.

Authors:  Elisabet Berggren; Patric Amcoff; Romualdo Benigni; Karen Blackburn; Edward Carney; Mark Cronin; Hubert Deluyker; Francoise Gautier; Richard S Judson; Georges E N Kass; Detlef Keller; Derek Knight; Werner Lilienblum; Catherine Mahony; Ivan Rusyn; Terry Schultz; Michael Schwarz; Gerrit Schüürmann; Andrew White; Julien Burton; Alfonso M Lostia; Sharon Munn; Andrew Worth
Journal:  Environ Health Perspect       Date:  2015-05-08       Impact factor: 9.031

10.  Prioritizing Chemicals for Risk Assessment Using Chemoinformatics: Examples from the IARC Monographs on Pesticides.

Authors:  Neela Guha; Kathryn Z Guyton; Dana Loomis; Dinesh Kumar Barupal
Journal:  Environ Health Perspect       Date:  2016-05-10       Impact factor: 9.031

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