Literature DB >> 27612993

Quantifying the benefits of using read-across and in silico techniques to fulfill hazard data requirements for chemical categories.

Kathleen Stanton1, Francis H Kruszewski2.   

Abstract

Substantial benefits are realized through the use of read-across and in silico techniques to fill data gaps for structurally similar substances. Considerable experience in applying these techniques was gained under two voluntary high production volume (HPV) chemical programs - the International Council of Chemical Associations' (ICCA) Cooperative Chemicals Assessment Programme (with the cooperation of the Organization of Economic Cooperation and Development) and the U.S. Environmental Protection Agency's HPV Challenge Program. These programs led to the compilation and public availability of baseline sets of health and environmental effects data for thousands of chemicals. The American Cleaning Institute's (ACI) contribution to these national and global efforts included the compilation of these datasets for 261 substances. Chemicals that have structural similarities are likely to have similar environmental fate, physical-chemical and toxicological properties, which was confirmed by examining available data from across the range of substances within categories of structurally similar HPV chemicals. These similarities allowed the utilization of read-across, trend analysis techniques and qualitative structure activity relationship ((Q)SAR) tools to fill data gaps. This paper presents the first quantification of actual benefits resulting from avoided testing through the use of read-across and in silico tools. Specifically, in the evaluation of these 261 noted substances, the use of 100,000-150,000 test animals and the expenditures of $50,000,000 to $70,000,000 (US) were avoided. Copyright Â
© 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Entities:  

Keywords:  (Q)SAR; Animal alternatives; Category approach; HPV; In silico; Read-across; Trend analysis

Mesh:

Substances:

Year:  2016        PMID: 27612993     DOI: 10.1016/j.yrtph.2016.09.004

Source DB:  PubMed          Journal:  Regul Toxicol Pharmacol        ISSN: 0273-2300            Impact factor:   3.271


  6 in total

1.  A case study on the application of an expert-driven read-across approach in support of quantitative risk assessment of p,p'-dichlorodiphenyldichloroethane.

Authors:  Lucina E Lizarraga; Jeffry L Dean; J Phillip Kaiser; Scott C Wesselkamper; Jason C Lambert; Q Jay Zhao
Journal:  Regul Toxicol Pharmacol       Date:  2019-02-19       Impact factor: 3.271

2.  In silico toxicology protocols.

Authors:  Glenn J Myatt; Ernst Ahlberg; Yumi Akahori; David Allen; Alexander Amberg; Lennart T Anger; Aynur Aptula; Scott Auerbach; Lisa Beilke; Phillip Bellion; Romualdo Benigni; Joel Bercu; Ewan D Booth; Dave Bower; Alessandro Brigo; Natalie Burden; Zoryana Cammerer; Mark T D Cronin; Kevin P Cross; Laura Custer; Magdalena Dettwiler; Krista Dobo; Kevin A Ford; Marie C Fortin; Samantha E Gad-McDonald; Nichola Gellatly; Véronique Gervais; Kyle P Glover; Susanne Glowienke; Jacky Van Gompel; Steve Gutsell; Barry Hardy; James S Harvey; Jedd Hillegass; Masamitsu Honma; Jui-Hua Hsieh; Chia-Wen Hsu; Kathy Hughes; Candice Johnson; Robert Jolly; David Jones; Ray Kemper; Michelle O Kenyon; Marlene T Kim; Naomi L Kruhlak; Sunil A Kulkarni; Klaus Kümmerer; Penny Leavitt; Bernhard Majer; Scott Masten; Scott Miller; Janet Moser; Moiz Mumtaz; Wolfgang Muster; Louise Neilson; Tudor I Oprea; Grace Patlewicz; Alexandre Paulino; Elena Lo Piparo; Mark Powley; Donald P Quigley; M Vijayaraj Reddy; Andrea-Nicole Richarz; Patricia Ruiz; Benoit Schilter; Rositsa Serafimova; Wendy Simpson; Lidiya Stavitskaya; Reinhard Stidl; Diana Suarez-Rodriguez; David T Szabo; Andrew Teasdale; Alejandra Trejo-Martin; Jean-Pierre Valentin; Anna Vuorinen; Brian A Wall; Pete Watts; Angela T White; Joerg Wichard; Kristine L Witt; Adam Woolley; David Woolley; Craig Zwickl; Catrin Hasselgren
Journal:  Regul Toxicol Pharmacol       Date:  2018-04-17       Impact factor: 3.271

3.  Genetic toxicology in silico protocol.

Authors:  Catrin Hasselgren; Ernst Ahlberg; Yumi Akahori; Alexander Amberg; Lennart T Anger; Franck Atienzar; Scott Auerbach; Lisa Beilke; Phillip Bellion; Romualdo Benigni; Joel Bercu; Ewan D Booth; Dave Bower; Alessandro Brigo; Zoryana Cammerer; Mark T D Cronin; Ian Crooks; Kevin P Cross; Laura Custer; Krista Dobo; Tatyana Doktorova; David Faulkner; Kevin A Ford; Marie C Fortin; Markus Frericks; Samantha E Gad-McDonald; Nichola Gellatly; Helga Gerets; Véronique Gervais; Susanne Glowienke; Jacky Van Gompel; James S Harvey; Jedd Hillegass; Masamitsu Honma; Jui-Hua Hsieh; Chia-Wen Hsu; Tara S Barton-Maclaren; Candice Johnson; Robert Jolly; David Jones; Ray Kemper; Michelle O Kenyon; Naomi L Kruhlak; Sunil A Kulkarni; Klaus Kümmerer; Penny Leavitt; Scott Masten; Scott Miller; Chandrika Moudgal; Wolfgang Muster; Alexandre Paulino; Elena Lo Piparo; Mark Powley; Donald P Quigley; M Vijayaray Reddy; Andrea-Nicole Richarz; Benoit Schilter; Ronald D Snyder; Lidiya Stavitskaya; Reinhard Stidl; David T Szabo; Andrew Teasdale; Raymond R Tice; Alejandra Trejo-Martin; Anna Vuorinen; Brian A Wall; Pete Watts; Angela T White; Joerg Wichard; Kristine L Witt; Adam Woolley; David Woolley; Craig Zwickl; Glenn J Myatt
Journal:  Regul Toxicol Pharmacol       Date:  2019-06-11       Impact factor: 3.271

4.  Application of grouping and read-across for the evaluation of parabens of different chain lengths with a particular focus on endocrine properties.

Authors:  Susann Fayyaz; Reinhard Kreiling; Ursula G Sauer
Journal:  Arch Toxicol       Date:  2021-01-18       Impact factor: 5.153

5.  Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions.

Authors:  Christoph Helma; David Vorgrimmler; Denis Gebele; Martin Gütlein; Barbara Engeli; Jürg Zarn; Benoit Schilter; Elena Lo Piparo
Journal:  Front Pharmacol       Date:  2018-04-25       Impact factor: 5.810

Review 6.  Bio-Based Aromatic Epoxy Monomers for Thermoset Materials.

Authors:  Feifei Ng; Guillaume Couture; Coralie Philippe; Bernard Boutevin; Sylvain Caillol
Journal:  Molecules       Date:  2017-01-18       Impact factor: 4.411

  6 in total

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